2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol

C17H28N2O — CID 65034212

IUPAC2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(14-20)13-18-17-8-11-19(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3
InChIKeyCMJIVSQYRGKINW-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.91
Rot. Bonds7

About 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol

2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 65034212) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID65034212
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(14-20)13-18-17-8-11-19(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3
InChIKeyCMJIVSQYRGKINW-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-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

N-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165134
4-methyl-2-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pentanoic acid
CID 122127811
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 119165252
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol (CID 65034212) is 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol is CC(CO)CNC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is CMJIVSQYRGKINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(14-20)13-18-17-8-11-19(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3.
What are the key properties of 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol?
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 65034212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).