1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine

C13H19BrN2 — CID 60861630

IUPAC1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C13H19BrN2/c1-10-9-12(3-4-13(10)14)16-7-5-11(15-2)6-8-16/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyBLRKEFNUWOZVAK-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.95
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine

1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine (PubChem CID 60861630) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
PubChem CID60861630
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C13H19BrN2/c1-10-9-12(3-4-13(10)14)16-7-5-11(15-2)6-8-16/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyBLRKEFNUWOZVAK-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
CID 82757769
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562198
1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine
CID 117026191
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
CID 61228821
2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024708
4-(4-bromo-3-methylphenyl)-N-ethylpiperazine-1-sulfonamide
CID 110608494
1-(9H-fluoren-2-yl)-N-methylpiperidin-4-amine
CID 43315117

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine (CID 60861630) is 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2ccc(Br)c(C)c2)CC1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine?
The InChIKey is BLRKEFNUWOZVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-9-12(3-4-13(10)14)16-7-5-11(15-2)6-8-16/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine?
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine has a molecular weight of 283.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 60861630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).