2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol

C16H26N2O — CID 116695061

IUPAC2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
SMILESCC1CCCN(CCC(N)(CO)c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-14-6-5-10-18(12-14)11-9-16(17,13-19)15-7-3-2-4-8-15/h2-4,7-8,14,19H,5-6,9-13,17H2,1H3
InChIKeyBZGUHBSBZNUUSH-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.95
Rot. Bonds5

About 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol

2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol (PubChem CID 116695061) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
PubChem CID116695061
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
SMILESCC1CCCN(CCC(N)(CO)c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-14-6-5-10-18(12-14)11-9-16(17,13-19)15-7-3-2-4-8-15/h2-4,7-8,14,19H,5-6,9-13,17H2,1H3
InChIKeyBZGUHBSBZNUUSH-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol
CID 116694950
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol
CID 55055369
2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116694964
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
1-benzyl-3-methylpiperidine
CID 2794856
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
2-amino-2-phenylpentan-1-ol
CID 61056433
2-amino-2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol
CID 64828070

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol (CID 116695061) is 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol is CC1CCCN(CCC(N)(CO)c2ccccc2)C1.
What is the InChIKey of 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol?
The InChIKey is BZGUHBSBZNUUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-6-5-10-18(12-14)11-9-16(17,13-19)15-7-3-2-4-8-15/h2-4,7-8,14,19H,5-6,9-13,17H2,1H3.
What are the key properties of 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol?
2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).