1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine

C19H23BrN2 — CID 2169041

IUPAC1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1Br
InChIInChI=1S/C19H23BrN2/c1-15-13-18(7-8-19(15)20)21-17-9-11-22(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyJVDIDXKFTLNADF-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.83
Rot. Bonds4

About 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine

1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine (PubChem CID 2169041) has the molecular formula C19H23BrN2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine
PubChem CID2169041
Molecular FormulaC19H23BrN2
Molecular Weight359.31 g/mol
Exact Mass358.10
IUPAC Name1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine
SMILESCc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1Br
InChIInChI=1S/C19H23BrN2/c1-15-13-18(7-8-19(15)20)21-17-9-11-22(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyJVDIDXKFTLNADF-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine (CID 2169041) is 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine is Cc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1Br.
What is the InChIKey of 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
The InChIKey is JVDIDXKFTLNADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2/c1-15-13-18(7-8-19(15)20)21-17-9-11-22(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17,21H,9-12,14H2,1H3.
What are the key properties of 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine has a molecular weight of 359.31 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-bromo-3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 2169041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).