1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine

C14H21BrN2 — CID 54976240

IUPAC1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(Cc2cccc(Br)c2)C(C)C1
InChIInChI=1S/C14H21BrN2/c1-11-8-14(16-2)6-7-17(11)10-12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,6-8,10H2,1-2H3
InChIKeyPREIIYRIKFELDW-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.02
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine

1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine (PubChem CID 54976240) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
PubChem CID54976240
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(Cc2cccc(Br)c2)C(C)C1
InChIInChI=1S/C14H21BrN2/c1-11-8-14(16-2)6-7-17(11)10-12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,6-8,10H2,1-2H3
InChIKeyPREIIYRIKFELDW-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(3-bromophenyl)methyl]-2-methylpyrrolidine
CID 130992812
N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 79032191
1-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 62228318
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
2-[(3-bromophenyl)methyl]-2-azabicyclo[2.1.1]hexane
CID 84707605
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine (CID 54976240) is 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine is CNC1CCN(Cc2cccc(Br)c2)C(C)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
The InChIKey is PREIIYRIKFELDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-8-14(16-2)6-7-17(11)10-12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,6-8,10H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 54976240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).