4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol

C17H28N2O — CID 64898583

IUPAC4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-18-17(9-12-20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16-18,20H,7-14H2,1H3
InChIKeyQMSYFKZYYUXHRE-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.91
Rot. Bonds7

About 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol

4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol (PubChem CID 64898583) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol
PubChem CID64898583
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-18-17(9-12-20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16-18,20H,7-14H2,1H3
InChIKeyQMSYFKZYYUXHRE-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

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Related Compounds

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3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
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(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
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4-benzyl-1-[2-(bromomethyl)-3-methylbutyl]piperidine
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N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
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1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol (CID 64898583) is 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol is CNC(CCO)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol?
The InChIKey is QMSYFKZYYUXHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18-17(9-12-20)14-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16-18,20H,7-14H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol?
4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-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 4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64898583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).