1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol

C17H28N2O — CID 64818556

IUPAC1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-17(20,14-18)9-12-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16,20H,7-14,18H2,1H3
InChIKeyOLZIQUZGDABRCO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.04
Rot. Bonds6

About 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol

1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol (PubChem CID 64818556) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
PubChem CID64818556
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-17(20,14-18)9-12-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16,20H,7-14,18H2,1H3
InChIKeyOLZIQUZGDABRCO-UHFFFAOYSA-N
XLogP2.04
TPSA49.49 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol
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3-(4-benzylpiperidin-1-yl)propanehydrazide
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4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
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4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
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CID 90103620
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
CID 88582628
CID 88582628
5-(4-benzylpiperidin-1-yl)pentanehydrazide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol (CID 64818556) is 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol is CC(O)(CN)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol?
The InChIKey is OLZIQUZGDABRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(20,14-18)9-12-19-10-7-16(8-11-19)13-15-5-3-2-4-6-15/h2-6,16,20H,7-14,18H2,1H3.
What are the key properties of 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol?
1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 64818556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).