4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol

C22H29NO — CID 70595753

IUPAC4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol
SMILESCC1CCCCN1CCC(C)(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H29NO/c1-18-10-8-9-16-23(18)17-15-22(2,24)21-14-7-6-13-20(21)19-11-4-3-5-12-19/h3-7,11-14,18,24H,8-10,15-17H2,1-2H3
InChIKeyRZDSFJWXNOFJSW-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.83
Rot. Bonds5

About 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol

4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol (PubChem CID 70595753) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol
PubChem CID70595753
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol
SMILESCC1CCCCN1CCC(C)(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H29NO/c1-18-10-8-9-16-23(18)17-15-22(2,24)21-14-7-6-13-20(21)19-11-4-3-5-12-19/h3-7,11-14,18,24H,8-10,15-17H2,1-2H3
InChIKeyRZDSFJWXNOFJSW-UHFFFAOYSA-N
XLogP4.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol
CID 70596954
4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol
CID 57320094
N,N-dimethyl-4-(2-methylpiperidin-1-yl)-2,2-diphenylbutanamide
CID 57291620
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587
2-(methylamino)-4-(2-methylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692306
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine
CID 145123756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol (CID 70595753) is 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol is CC1CCCCN1CCC(C)(O)c1ccccc1-c1ccccc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
The InChIKey is RZDSFJWXNOFJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-18-10-8-9-16-23(18)17-15-22(2,24)21-14-7-6-13-20(21)19-11-4-3-5-12-19/h3-7,11-14,18,24H,8-10,15-17H2,1-2H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-2-(2-phenylphenyl)butan-2-ol is sourced from PubChem (CID 70595753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).