Chemical ID: 5044857

c1c(cc(c(c1CN2CCCCC2)O)CN3CCCCC3)N
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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