1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol

C11H20ClNO — CID 112561733

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCCC2CCCC21
InChIInChI=1S/C11H20ClNO/c12-7-10(14)8-13-6-2-4-9-3-1-5-11(9)13/h9-11,14H,1-8H2
InChIKeyGIPFFMZLZQBAMA-UHFFFAOYSA-N
MW217.74 g/mol
LogP1.85
Rot. Bonds3

About 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol (PubChem CID 112561733) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol
PubChem CID112561733
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCCC2CCCC21
InChIInChI=1S/C11H20ClNO/c12-7-10(14)8-13-6-2-4-9-3-1-5-11(9)13/h9-11,14H,1-8H2
InChIKeyGIPFFMZLZQBAMA-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-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

2-(2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl)pentan-3-ol
CID 65319613
2-(2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl)ethanol
CID 65319986
1-(2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol
CID 65320035
1-[2-(2-Chloroethoxy)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320139
1-(2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl)butan-2-ol
CID 65320183
3-(2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl)butan-2-ol
CID 65320344
1-(2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl)-3-methylbutan-2-ol
CID 80448117
(2R)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol
CID 103935222
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-2-ol
CID 103935223
1-Chloro-3-(2,3-dimethylpiperidin-1-yl)propan-2-ol
CID 112561565
1-Chloro-3-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 112561572
1-(2,3,3a,4,5,6,7,7a-Octahydroindol-1-yl)-3-chloropropan-2-ol
CID 112561835

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol (CID 112561733) is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol is OC(CCl)CN1CCCC2CCCC21.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol?
The InChIKey is GIPFFMZLZQBAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-7-10(14)8-13-6-2-4-9-3-1-5-11(9)13/h9-11,14H,1-8H2.
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol?
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol has a molecular weight of 217.74 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol is sourced from PubChem (CID 112561733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).