[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol

C17H28N2O — CID 62617928

IUPAC[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
SMILESCNC(c1ccccc1)C(C)CN1CCCCC1CO
InChIInChI=1S/C17H28N2O/c1-14(12-19-11-7-6-10-16(19)13-20)17(18-2)15-8-4-3-5-9-15/h3-5,8-9,14,16-18,20H,6-7,10-13H2,1-2H3
InChIKeyHEOSSYXSCUQJSR-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.43
Rot. Bonds6

About [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol

[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol (PubChem CID 62617928) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
PubChem CID62617928
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
SMILESCNC(c1ccccc1)C(C)CN1CCCCC1CO
InChIInChI=1S/C17H28N2O/c1-14(12-19-11-7-6-10-16(19)13-20)17(18-2)15-8-4-3-5-9-15/h3-5,8-9,14,16-18,20H,6-7,10-13H2,1-2H3
InChIKeyHEOSSYXSCUQJSR-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
[1-(3-amino-2,2-dimethyl-3-phenylpropyl)azepan-2-yl]methanol
CID 116638200
3-[2-(hydroxymethyl)azepan-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 116638232
[(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
CID 11501921
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpropanenitrile
CID 64537868
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol (CID 62617928) is [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol is CNC(c1ccccc1)C(C)CN1CCCCC1CO.
What is the InChIKey of [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol?
The InChIKey is HEOSSYXSCUQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(12-19-11-7-6-10-16(19)13-20)17(18-2)15-8-4-3-5-9-15/h3-5,8-9,14,16-18,20H,6-7,10-13H2,1-2H3.
What are the key properties of [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol?
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62617928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).