4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol

C18H30N2O — CID 111436462

IUPAC4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol
SMILESCC1CC(N(C)CCCCO)CCN1Cc1ccccc1
InChIInChI=1S/C18H30N2O/c1-16-14-18(19(2)11-6-7-13-21)10-12-20(16)15-17-8-4-3-5-9-17/h3-5,8-9,16,18,21H,6-7,10-15H2,1-2H3
InChIKeyURXDZZUVTJBJIT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.74
Rot. Bonds7

About 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol

4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol (PubChem CID 111436462) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol
PubChem CID111436462
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol
SMILESCC1CC(N(C)CCCCO)CCN1Cc1ccccc1
InChIInChI=1S/C18H30N2O/c1-16-14-18(19(2)11-6-7-13-21)10-12-20(16)15-17-8-4-3-5-9-17/h3-5,8-9,16,18,21H,6-7,10-15H2,1-2H3
InChIKeyURXDZZUVTJBJIT-UHFFFAOYSA-N
XLogP2.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]propane-1,2-diol
CID 126841736
3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one
CID 95632888
3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982758
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
3-[[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]methyl]benzoic acid
CID 122029049
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 97317575
(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine
CID 125141934

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol?
The IUPAC name of 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol (CID 111436462) is 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol.
What is the SMILES notation for 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol?
The canonical SMILES for 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol is CC1CC(N(C)CCCCO)CCN1Cc1ccccc1.
What is the InChIKey of 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol?
The InChIKey is URXDZZUVTJBJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16-14-18(19(2)11-6-7-13-21)10-12-20(16)15-17-8-4-3-5-9-17/h3-5,8-9,16,18,21H,6-7,10-15H2,1-2H3.
What are the key properties of 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol?
4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol is sourced from PubChem (CID 111436462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).