(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol

C15H31NO — CID 10399452

IUPAC(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol
SMILESCCCC[C@H](O)CC[C@H]1CCC[C@@H](CCC)N1
InChIInChI=1S/C15H31NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyDOQUWFOOVMIENZ-KFWWJZLASA-N
MW241.42 g/mol
LogP3.63
Rot. Bonds8

About (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol

(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol (PubChem CID 10399452) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol
PubChem CID10399452
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol
SMILESCCCC[C@H](O)CC[C@H]1CCC[C@@H](CCC)N1
InChIInChI=1S/C15H31NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyDOQUWFOOVMIENZ-KFWWJZLASA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol
CID 11108896
(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
CID 11021533
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2R)-2,5-dipropylpyrrolidine
CID 143543976
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
1-cyclopentyldecan-3-ol
CID 115783211
CID 172776718
CID 172776718
1-cyclopropylundecan-3-ol
CID 115810831
hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol
CID 174785883
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol
CID 11551163

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol?
The IUPAC name of (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol (CID 10399452) is (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol.
What is the SMILES notation for (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol?
The canonical SMILES for (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol is CCCC[C@H](O)CC[C@H]1CCC[C@@H](CCC)N1.
What is the InChIKey of (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol?
The InChIKey is DOQUWFOOVMIENZ-KFWWJZLASA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14-,15+/m1/s1.
What are the key properties of (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol?
(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol is sourced from PubChem (CID 10399452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).