[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol

C21H25ClN2O — CID 90338563

IUPAC[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)CC1
InChIInChI=1S/C21H25ClN2O/c22-16-4-1-3-15(11-16)20-12-21(18-5-2-6-19(18)24-20)23-17-9-7-14(13-25)8-10-17/h1,3-4,11-12,14,17,25H,2,5-10,13H2,(H,23,24)
InChIKeyLMDRJNJAHHPXOQ-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.85
Rot. Bonds4

About [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol

[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol (PubChem CID 90338563) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol
PubChem CID90338563
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)CC1
InChIInChI=1S/C21H25ClN2O/c22-16-4-1-3-15(11-16)20-12-21(18-5-2-6-19(18)24-20)23-17-9-7-14(13-25)8-10-17/h1,3-4,11-12,14,17,25H,2,5-10,13H2,(H,23,24)
InChIKeyLMDRJNJAHHPXOQ-UHFFFAOYSA-N
XLogP4.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol (CID 90338563) is [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol is OCC1CCC(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)CC1.
What is the InChIKey of [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is LMDRJNJAHHPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c22-16-4-1-3-15(11-16)20-12-21(18-5-2-6-19(18)24-20)23-17-9-7-14(13-25)8-10-17/h1,3-4,11-12,14,17,25H,2,5-10,13H2,(H,23,24).
What are the key properties of [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol?
[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 356.90 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 90338563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).