4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

C17H28BrN3 — CID 61415917

IUPAC4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(N(C)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H28BrN3/c1-14(2)21-10-8-17(13-19,9-11-21)20(3)12-15-4-6-16(18)7-5-15/h4-7,14H,8-13,19H2,1-3H3
InChIKeyKWQGUHULNNKUKI-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.08
Rot. Bonds5

About 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 61415917) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
PubChem CID61415917
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(N(C)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H28BrN3/c1-14(2)21-10-8-17(13-19,9-11-21)20(3)12-15-4-6-16(18)7-5-15/h4-7,14H,8-13,19H2,1-3H3
InChIKeyKWQGUHULNNKUKI-UHFFFAOYSA-N
XLogP3.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
2-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415914
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078125
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661092
4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine
CID 172840002
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65075980
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
CID 28798824
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
4-(aminomethyl)-N-methyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078410
4-(aminomethyl)-N-butyl-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078409
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (CID 61415917) is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(CN)(N(C)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is KWQGUHULNNKUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-14(2)21-10-8-17(13-19,9-11-21)20(3)12-15-4-6-16(18)7-5-15/h4-7,14H,8-13,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 354.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 61415917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).