1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine

C15H23BrN2 — CID 107636284

IUPAC1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cccc(Br)c2C)CC1
InChIInChI=1S/C15H23BrN2/c1-3-9-17-13-7-10-18(11-8-13)15-6-4-5-14(16)12(15)2/h4-6,13,17H,3,7-11H2,1-2H3
InChIKeyUSKWLJRMERXNBP-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.73
Rot. Bonds4

About 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine

1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine (PubChem CID 107636284) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
PubChem CID107636284
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cccc(Br)c2C)CC1
InChIInChI=1S/C15H23BrN2/c1-3-9-17-13-7-10-18(11-8-13)15-6-4-5-14(16)12(15)2/h4-6,13,17H,3,7-11H2,1-2H3
InChIKeyUSKWLJRMERXNBP-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 43315030
1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
N-propyl-1-quinolin-5-ylpiperidin-4-amine
CID 43315003
1-(4-fluoro-2-iodophenyl)-N-propylpiperidin-4-amine
CID 79766663
1-(3-methyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 62252971
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107639352
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
1-(6-methoxy-2-pyridinyl)-N-propylpiperidin-4-amine
CID 63588941

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine (CID 107636284) is 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine is CCCNC1CCN(c2cccc(Br)c2C)CC1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine?
The InChIKey is USKWLJRMERXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-9-17-13-7-10-18(11-8-13)15-6-4-5-14(16)12(15)2/h4-6,13,17H,3,7-11H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine?
1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine has a molecular weight of 311.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 107636284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).