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

C17H28N2O — CID 63239768

IUPAC2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(C)(O)CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,20)14-18-16-9-12-19(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,16,18,20H,8-14H2,1-2H3
InChIKeyQURYKQPYWSPZRC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.05
Rot. Bonds6

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

2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 63239768) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
PubChem CID63239768
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
SMILESCC(C)(O)CNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,20)14-18-16-9-12-19(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,16,18,20H,8-14H2,1-2H3
InChIKeyQURYKQPYWSPZRC-UHFFFAOYSA-N
XLogP2.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 62374506
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
CID 110021905
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 107269988
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 157018144
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol (CID 63239768) is 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol is CC(C)(O)CNC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is QURYKQPYWSPZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,20)14-18-16-9-12-19(13-10-16)11-8-15-6-4-3-5-7-15/h3-7,16,18,20H,8-14H2,1-2H3.
What are the key properties of 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol?
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 63239768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).