[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine

C15H20BrClN2 — CID 66159366

IUPAC[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CC2)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C15H20BrClN2/c16-14-6-3-11(17)8-13(14)15-10(9-18)2-1-7-19(15)12-4-5-12/h3,6,8,10,12,15H,1-2,4-5,7,9,18H2
InChIKeyZZNVJWBQJBOKTE-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.98
Rot. Bonds3

About [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine

[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine (PubChem CID 66159366) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
PubChem CID66159366
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
SMILESNCC1CCCN(C2CC2)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C15H20BrClN2/c16-14-6-3-11(17)8-13(14)15-10(9-18)2-1-7-19(15)12-4-5-12/h3,6,8,10,12,15H,1-2,4-5,7,9,18H2
InChIKeyZZNVJWBQJBOKTE-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66481295
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 114488890
[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 102844551
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
CID 66159561
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 66159756
[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 81441629
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
6-amino-7-(2-bromo-5-chlorophenyl)-1-ethylazepan-2-one
CID 66159957

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine (CID 66159366) is [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine is NCC1CCCN(C2CC2)C1c1cc(Cl)ccc1Br.
What is the InChIKey of [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
The InChIKey is ZZNVJWBQJBOKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-14-6-3-11(17)8-13(14)15-10(9-18)2-1-7-19(15)12-4-5-12/h3,6,8,10,12,15H,1-2,4-5,7,9,18H2.
What are the key properties of [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine?
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine has a molecular weight of 343.70 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine is sourced from PubChem (CID 66159366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).