1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol

C17H28N2O — CID 106837864

IUPAC1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-13(17(18)16-6-4-3-5-7-16)12-19-10-8-15(9-11-19)14(2)20/h3-7,13-15,17,20H,8-12,18H2,1-2H3
InChIKeyRARVDXMTOQZOSH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.42
Rot. Bonds5

About 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol

1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol (PubChem CID 106837864) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
PubChem CID106837864
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-13(17(18)16-6-4-3-5-7-16)12-19-10-8-15(9-11-19)14(2)20/h3-7,13-15,17,20H,8-12,18H2,1-2H3
InChIKeyRARVDXMTOQZOSH-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
CID 62619441
3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 65282253
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-1-phenylpropan-1-amine
CID 63159871
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
[4-(3-amino-2-methyl-3-phenylpropyl)-6-methylmorpholin-2-yl]methanol
CID 102936336
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106761

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol (CID 106837864) is 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol is CC(O)C1CCN(CC(C)C(N)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol?
The InChIKey is RARVDXMTOQZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(17(18)16-6-4-3-5-7-16)12-19-10-8-15(9-11-19)14(2)20/h3-7,13-15,17,20H,8-12,18H2,1-2H3.
What are the key properties of 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol?
1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106837864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).