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

C14H21BrN2 — CID 79032191

IUPACN-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCc2cccc(Br)c2)CCN1C
InChIInChI=1S/C14H21BrN2/c1-11-8-14(6-7-17(11)2)16-10-12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,6-8,10H2,1-2H3
InChIKeyUFUMQCPXFNEWHT-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.02
Rot. Bonds3

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

N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 79032191) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
PubChem CID79032191
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCc2cccc(Br)c2)CCN1C
InChIInChI=1S/C14H21BrN2/c1-11-8-14(6-7-17(11)2)16-10-12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,6-8,10H2,1-2H3
InChIKeyUFUMQCPXFNEWHT-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

N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614655
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 54976240
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 106263639
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
tert-butyl 4-[(3-bromophenyl)methylamino]piperidine-1-carboxylate;ethane
CID 143006069
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine (CID 79032191) is N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine is CC1CC(NCc2cccc(Br)c2)CCN1C.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is UFUMQCPXFNEWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-8-14(6-7-17(11)2)16-10-12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,6-8,10H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
N-[(3-bromophenyl)methyl]-1,2-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 N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 79032191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).