1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine

C16H25BrN2 — CID 82757596

IUPAC1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(C)ccc2Br)C(C)C1
InChIInChI=1S/C16H25BrN2/c1-4-8-18-14-7-9-19(13(3)11-14)16-10-12(2)5-6-15(16)17/h5-6,10,13-14,18H,4,7-9,11H2,1-3H3
InChIKeyXHPVSIMWBURFGO-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine

1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine (PubChem CID 82757596) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine
PubChem CID82757596
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(C)ccc2Br)C(C)C1
InChIInChI=1S/C16H25BrN2/c1-4-8-18-14-7-9-19(13(3)11-14)16-10-12(2)5-6-15(16)17/h5-6,10,13-14,18H,4,7-9,11H2,1-3H3
InChIKeyXHPVSIMWBURFGO-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluoro-5-methylphenyl)-2-methylpiperidin-4-amine
CID 54975831
1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 54975744
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
N-ethyl-2-methyl-1-(3-methylphenyl)piperidin-4-amine
CID 54975435
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
CID 82757769
1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 54975580
2-methyl-1-(1-propan-2-ylpyrazol-4-yl)-N-propylpiperidin-4-amine
CID 62904080
1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
CID 107613067
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
N-ethyl-2-methyl-1-(4-methyl-3-pyridinyl)piperidin-4-amine
CID 55202268
1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
CID 107636284

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine (CID 82757596) is 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine is CCCNC1CCN(c2cc(C)ccc2Br)C(C)C1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine?
The InChIKey is XHPVSIMWBURFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-8-18-14-7-9-19(13(3)11-14)16-10-12(2)5-6-15(16)17/h5-6,10,13-14,18H,4,7-9,11H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine?
1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 82757596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).