(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride

C12H15BrCl2FN — CID 45260390

IUPAC(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride
SMILESCl.F[C@H]1CCNC[C@@H]1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrClFN.ClH/c13-10-1-2-11(14)8(6-10)5-9-7-16-4-3-12(9)15;/h1-2,6,9,12,16H,3-5,7H2;1H/t9-,12-;/m0./s1
InChIKeyVKHIXCDIZUJRHL-CSDGMEMJSA-N
MW343.07 g/mol
LogP4.01
Rot. Bonds2

About (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride

(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride (PubChem CID 45260390) has the molecular formula C12H15BrCl2FN and a molecular weight of 343.07 g/mol. Its IUPAC name is (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride
PubChem CID45260390
Molecular FormulaC12H15BrCl2FN
Molecular Weight343.07 g/mol
Exact Mass340.97
IUPAC Name(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride
SMILESCl.F[C@H]1CCNC[C@@H]1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C12H14BrClFN.ClH/c13-10-1-2-11(14)8(6-10)5-9-7-16-4-3-12(9)15;/h1-2,6,9,12,16H,3-5,7H2;1H/t9-,12-;/m0./s1
InChIKeyVKHIXCDIZUJRHL-CSDGMEMJSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]-4-(4-fluorophenyl)piperidine
CID 44447596
(3R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine
CID 44447600
4-(2-Chloro-4-fluorophenyl)piperidine hydrochloride
CID 69228079
(3R,4R)-3-[2-(5-bromo-2-chlorophenyl)ethyl]-4-fluoropiperidine;hydrochloride
CID 9950618
(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride
CID 45260339
3-[(5-Bromo-2-chlorophenyl)methyl]piperidin-4-one;hydrochloride
CID 45260352
5-[(5-Bromo-2-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45260385
3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride
CID 45260392
5-[(5-Bromo-2-chlorophenyl)methyl]-4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45264323
3-[2-(5-Bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride
CID 45264334
4-[(2-Chloro-5-fluorophenyl)methyl]piperidine
CID 9856000
4-[(2-Chloro-4-fluorophenyl)methyl]piperidine
CID 54535596

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride?
The IUPAC name of (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride (CID 45260390) is (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride.
What is the SMILES notation for (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride?
The canonical SMILES for (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride is Cl.F[C@H]1CCNC[C@@H]1Cc1cc(Br)ccc1Cl.
What is the InChIKey of (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride?
The InChIKey is VKHIXCDIZUJRHL-CSDGMEMJSA-N. The full InChI is InChI=1S/C12H14BrClFN.ClH/c13-10-1-2-11(14)8(6-10)5-9-7-16-4-3-12(9)15;/h1-2,6,9,12,16H,3-5,7H2;1H/t9-,12-;/m0./s1.
What are the key properties of (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride?
(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride has a molecular weight of 343.07 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride is sourced from PubChem (CID 45260390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).