(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride

C12H17BrCl2N2 — CID 120846008

IUPAC(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H16BrClN2.ClH/c13-11-4-3-9(6-12(11)14)7-16-5-1-2-10(15)8-16;/h3-4,6,10H,1-2,5,7-8,15H2;1H/t10-;/m1./s1
InChIKeyLPVQQBCFOGEETI-HNCPQSOCSA-N
MW340.09 g/mol
LogP3.45
Rot. Bonds2

About (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride

(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 120846008) has the molecular formula C12H17BrCl2N2 and a molecular weight of 340.09 g/mol. Its IUPAC name is (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
PubChem CID120846008
Molecular FormulaC12H17BrCl2N2
Molecular Weight340.09 g/mol
Exact Mass338.00
IUPAC Name(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H16BrClN2.ClH/c13-11-4-3-9(6-12(11)14)7-16-5-1-2-10(15)8-16;/h3-4,6,10H,1-2,5,7-8,15H2;1H/t10-;/m1./s1
InChIKeyLPVQQBCFOGEETI-HNCPQSOCSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486
1-[(4-bromo-3-nitrophenyl)methyl]piperidin-3-amine
CID 115558460
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119034117
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
CID 115903800
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride (CID 120846008) is (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride is Cl.N[C@@H]1CCCN(Cc2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is LPVQQBCFOGEETI-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H16BrClN2.ClH/c13-11-4-3-9(6-12(11)14)7-16-5-1-2-10(15)8-16;/h3-4,6,10H,1-2,5,7-8,15H2;1H/t10-;/m1./s1.
What are the key properties of (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride?
(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 340.09 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120846008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).