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Chemical ID: 5044857
Chemical ID:
5044857
Name [?]:
4-amino-2,6-bis(1-piperidylmethyl)phenol
SMILES [?]:
c1c(cc(c(c1CN2CCCCC2)O)CN3CCCCC3)N
InChi [?]:
InChI=1/C18H29N3O/c19-17-11-15(13-20-7-3-1-4-8-20)18(22)16(12-17)14-21-9-5-2-6-10-21/h11-12,22H,1-10,13-14,19H2
InChi Info:
AuxInfo=1/0/N:11,19,10,12,18,20,9,13,17,21,1,3,7,15,6,4,2,5,22,8,16,14/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(20,21)/rA:22nCCCCCCCNCCCCCOCNCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s5;s4;s15;s16;s17;s18;s19;s16s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29N3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85423 |
Area: | 511.558 |
Solvation: | -2.93473 |
Coulombic: | -42.2284 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 303.442 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.61 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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