(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol

C23H29NO — CID 135110130

IUPAC(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCc1ccccc1-c1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1
InChIInChI=1S/C23H29NO/c1-18-6-2-3-7-21(18)20-11-9-19(10-12-20)16-24-15-5-14-23(17-24)13-4-8-22(23)25/h2-3,6-7,9-12,22,25H,4-5,8,13-17H2,1H3/t22-,23-/m1/s1
InChIKeyFQYFWUHNWQMNHR-DHIUTWEWSA-N
MW335.49 g/mol
LogP4.79
Rot. Bonds3

About (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 135110130) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID135110130
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCc1ccccc1-c1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1
InChIInChI=1S/C23H29NO/c1-18-6-2-3-7-21(18)20-11-9-19(10-12-20)16-24-15-5-14-23(17-24)13-4-8-22(23)25/h2-3,6-7,9-12,22,25H,4-5,8,13-17H2,1H3/t22-,23-/m1/s1
InChIKeyFQYFWUHNWQMNHR-DHIUTWEWSA-N
XLogP4.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
(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
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile
CID 74243723
(6S,11S)-8-methyl-2-[[4-(N-methylanilino)phenyl]methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689609
(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
CID 135120621
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol (CID 135110130) is (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol is Cc1ccccc1-c1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)cc1.
What is the InChIKey of (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is FQYFWUHNWQMNHR-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H29NO/c1-18-6-2-3-7-21(18)20-11-9-19(10-12-20)16-24-15-5-14-23(17-24)13-4-8-22(23)25/h2-3,6-7,9-12,22,25H,4-5,8,13-17H2,1H3/t22-,23-/m1/s1.
What are the key properties of (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 335.49 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135110130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).