N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine

C15H23BrN2 — CID 54923407

IUPACN-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C15H23BrN2/c1-2-11-18(14-7-9-17-10-8-14)12-13-5-3-4-6-15(13)16/h3-6,14,17H,2,7-12H2,1H3
InChIKeyGREJAZIUFMVWAW-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine

N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 54923407) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID54923407
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C15H23BrN2/c1-2-11-18(14-7-9-17-10-8-14)12-13-5-3-4-6-15(13)16/h3-6,14,17H,2,7-12H2,1H3
InChIKeyGREJAZIUFMVWAW-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933025
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932804
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-[(2,3-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 58624352
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 120835456
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 115741636
4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115581
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine (CID 54923407) is N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine is CCCN(Cc1ccccc1Br)C1CCNCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is GREJAZIUFMVWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-11-18(14-7-9-17-10-8-14)12-13-5-3-4-6-15(13)16/h3-6,14,17H,2,7-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine?
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 311.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 54923407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).