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

C13H19BrN2 — CID 63334285

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

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

1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine (PubChem CID 63334285) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
PubChem CID63334285
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C13H19BrN2/c1-10-3-4-12(9-13(10)14)16-7-5-11(15-2)6-8-16/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeyFHWHBRBPDSAKDZ-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

CID 52934003
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CID 7060582
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CID 3043617
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CID 98290
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CID 9965096
CID 9965096
CID 24747139
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CID 24761088
CID 24761088
CID 44399297
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CID 10640949
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CID 3043613
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CID 13865046
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CID 729209
CID 729209

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine (CID 63334285) is 1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2ccc(C)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine?
The InChIKey is FHWHBRBPDSAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-3-4-12(9-13(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-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine?
1-(3-bromo-4-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-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 63334285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).