4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol

C15H20ClNO — CID 82980644

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol
SMILESOc1ccc(CN2CCCC3CCCC32)cc1Cl
InChIInChI=1S/C15H20ClNO/c16-13-9-11(6-7-15(13)18)10-17-8-2-4-12-3-1-5-14(12)17/h6-7,9,12,14,18H,1-5,8,10H2
InChIKeyLIMZKHOBCUCLQA-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.81
Rot. Bonds2

About 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol (PubChem CID 82980644) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol
PubChem CID82980644
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol
SMILESOc1ccc(CN2CCCC3CCCC32)cc1Cl
InChIInChI=1S/C15H20ClNO/c16-13-9-11(6-7-15(13)18)10-17-8-2-4-12-3-1-5-14(12)17/h6-7,9,12,14,18H,1-5,8,10H2
InChIKeyLIMZKHOBCUCLQA-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol with MolForge

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Related Compounds

4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-fluorophenol
CID 107694123
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-bromophenol
CID 82982172
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
CID 103886816
1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
CID 55192798
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699329
1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-[4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]ethanamine
CID 102726874
1-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678143
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol (CID 82980644) is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol is Oc1ccc(CN2CCCC3CCCC32)cc1Cl.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol?
The InChIKey is LIMZKHOBCUCLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-9-11(6-7-15(13)18)10-17-8-2-4-12-3-1-5-14(12)17/h6-7,9,12,14,18H,1-5,8,10H2.
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol?
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol has a molecular weight of 265.78 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol is sourced from PubChem (CID 82980644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).