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Chemical ID: 4216996
Chemical ID:
4216996
Name [?]:
1-ethylamino-3-(4-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CCNCC(CN1CCC(CC1)C)O
InChi [?]:
InChI=1/C11H24N2O/c1-3-12-8-11(14)9-13-6-4-10(2)5-7-13/h10-12,14H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,9,11,8,12,4,6,10,5,3,7,14/E:(4,5)(6,7)/rA:14cCCNCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s10;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H24N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.97542 |
Area: | 406.085 |
Solvation: | -3.1767 |
Coulombic: | -29.8616 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.8 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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