(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

C16H22ClNO — CID 135097855

IUPAC(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C16H22ClNO/c17-14-6-4-13(5-7-14)11-18-10-2-9-16(12-18)8-1-3-15(16)19/h4-7,15,19H,1-3,8-12H2/t15-,16+/m1/s1
InChIKeyKSWGLFPBHJJNPY-CVEARBPZSA-N
MW279.81 g/mol
LogP3.47
Rot. Bonds2

About (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 135097855) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID135097855
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C16H22ClNO/c17-14-6-4-13(5-7-14)11-18-10-2-9-16(12-18)8-1-3-15(16)19/h4-7,15,19H,1-3,8-12H2/t15-,16+/m1/s1
InChIKeyKSWGLFPBHJJNPY-CVEARBPZSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
formic acid;(4R,5R)-7-[[4-(2-phenylethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 154918583
3-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-pyridin-2-one
CID 165420515
(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
CID 135120621
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
(4R,5S)-7-[[3-(4-piperidin-1-ylbutoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424125
(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689609
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol (CID 135097855) is (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol is O[C@@H]1CCC[C@@]12CCCN(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is KSWGLFPBHJJNPY-CVEARBPZSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-14-6-4-13(5-7-14)11-18-10-2-9-16(12-18)8-1-3-15(16)19/h4-7,15,19H,1-3,8-12H2/t15-,16+/m1/s1.
What are the key properties of (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 279.81 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135097855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).