[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine

C13H18BrClN2 — CID 114077036

IUPAC[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H18BrClN2/c14-12-5-4-10(7-13(12)15)9-17-6-2-1-3-11(17)8-16/h4-5,7,11H,1-3,6,8-9,16H2
InChIKeyRUZMXHUOVYELAT-UHFFFAOYSA-N
MW317.66 g/mol
LogP3.42
Rot. Bonds3

About [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine

[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 114077036) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
PubChem CID114077036
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H18BrClN2/c14-12-5-4-10(7-13(12)15)9-17-6-2-1-3-11(17)8-16/h4-5,7,11H,1-3,6,8-9,16H2
InChIKeyRUZMXHUOVYELAT-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311730
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 83230799
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine (CID 114077036) is [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1ccc(Br)c(Cl)c1.
What is the InChIKey of [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is RUZMXHUOVYELAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c14-12-5-4-10(7-13(12)15)9-17-6-2-1-3-11(17)8-16/h4-5,7,11H,1-3,6,8-9,16H2.
What are the key properties of [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine?
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 317.66 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 114077036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).