4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C21H31ClN2O — CID 69493240

IUPAC4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESCc1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3)C2)c(Cl)c1
InChIInChI=1S/C21H31ClN2O/c1-16-3-8-20(19(22)13-16)24-11-2-9-21(15-24)10-12-23(14-21)17-4-6-18(25)7-5-17/h3,8,13,17-18,25H,2,4-7,9-12,14-15H2,1H3/t17?,18?,21-/m1/s1
InChIKeyKNZCJPBYNIMSOK-WIXQSORDSA-N
MW362.95 g/mol
LogP4.24
Rot. Bonds2

About 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69493240) has the molecular formula C21H31ClN2O and a molecular weight of 362.95 g/mol. Its IUPAC name is 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69493240
Molecular FormulaC21H31ClN2O
Molecular Weight362.95 g/mol
Exact Mass362.21
IUPAC Name4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESCc1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3)C2)c(Cl)c1
InChIInChI=1S/C21H31ClN2O/c1-16-3-8-20(19(22)13-16)24-11-2-9-21(15-24)10-12-23(14-21)17-4-6-18(25)7-5-17/h3,8,13,17-18,25H,2,4-7,9-12,14-15H2,1H3/t17?,18?,21-/m1/s1
InChIKeyKNZCJPBYNIMSOK-WIXQSORDSA-N
XLogP4.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69493240) is 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is Cc1ccc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3)C2)c(Cl)c1.
What is the InChIKey of 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is KNZCJPBYNIMSOK-WIXQSORDSA-N. The full InChI is InChI=1S/C21H31ClN2O/c1-16-3-8-20(19(22)13-16)24-11-2-9-21(15-24)10-12-23(14-21)17-4-6-18(25)7-5-17/h3,8,13,17-18,25H,2,4-7,9-12,14-15H2,1H3/t17?,18?,21-/m1/s1.
What are the key properties of 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 362.95 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69493240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).