1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol

C16H26N2O — CID 64818557

IUPAC1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-16(19,12-17)13-18-9-7-15(8-10-18)11-14-5-3-2-4-6-14/h2-6,15,19H,7-13,17H2,1H3
InChIKeyURPRNNSBKUPMRU-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.65
Rot. Bonds5

About 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol

1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol (PubChem CID 64818557) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
PubChem CID64818557
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-16(19,12-17)13-18-9-7-15(8-10-18)11-14-5-3-2-4-6-14/h2-6,15,19H,7-13,17H2,1H3
InChIKeyURPRNNSBKUPMRU-UHFFFAOYSA-N
XLogP1.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64818556
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
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4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
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1-[4-(2-aminoethyl)piperazin-1-yl]-2-methyl-3-phenylpropan-2-ol
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2-(4-benzylpiperidin-1-yl)acetamide
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4-benzyl-1-(2-methylbutan-2-yl)piperidine
CID 70930058
4-benzyl-1-(2-methylsulfanylethyl)piperidine
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4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
4-benzyl-1-methylpiperidine;ethane
CID 142009767
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol (CID 64818557) is 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol is CC(O)(CN)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
The InChIKey is URPRNNSBKUPMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(19,12-17)13-18-9-7-15(8-10-18)11-14-5-3-2-4-6-14/h2-6,15,19H,7-13,17H2,1H3.
What are the key properties of 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol?
1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 64818557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).