4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine

C16H26BrN3 — CID 82761608

IUPAC4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(Nc2cc(C)ccc2Br)CC1
InChIInChI=1S/C16H26BrN3/c1-3-8-20-9-6-16(12-18,7-10-20)19-15-11-13(2)4-5-14(15)17/h4-5,11,19H,3,6-10,12,18H2,1-2H3
InChIKeyZBWBDTSSADIAQE-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.37
Rot. Bonds5

About 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine

4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine (PubChem CID 82761608) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine
PubChem CID82761608
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(Nc2cc(C)ccc2Br)CC1
InChIInChI=1S/C16H26BrN3/c1-3-8-20-9-6-16(12-18,7-10-20)19-15-11-13(2)4-5-14(15)17/h4-5,11,19H,3,6-10,12,18H2,1-2H3
InChIKeyZBWBDTSSADIAQE-UHFFFAOYSA-N
XLogP3.37
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine (CID 82761608) is 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine is CCCN1CCC(CN)(Nc2cc(C)ccc2Br)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine?
The InChIKey is ZBWBDTSSADIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-3-8-20-9-6-16(12-18,7-10-20)19-15-11-13(2)4-5-14(15)17/h4-5,11,19H,3,6-10,12,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine?
4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine has a molecular weight of 340.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 82761608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).