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

C14H19BrCl2FN — CID 45260339

IUPAC(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride
SMILESCl.F[C@H]1CCNC[C@@H]1CCCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClFN.ClH/c15-12-4-5-13(16)10(8-12)2-1-3-11-9-18-7-6-14(11)17;/h4-5,8,11,14,18H,1-3,6-7,9H2;1H/t11-,14-;/m0./s1
InChIKeyPDPPYXSLYIUJQY-XCBLFTOQSA-N
MW371.12 g/mol
LogP4.79
Rot. Bonds4

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

(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride (PubChem CID 45260339) has the molecular formula C14H19BrCl2FN and a molecular weight of 371.12 g/mol. Its IUPAC name is (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride
PubChem CID45260339
Molecular FormulaC14H19BrCl2FN
Molecular Weight371.12 g/mol
Exact Mass369.01
IUPAC Name(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride
SMILESCl.F[C@H]1CCNC[C@@H]1CCCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClFN.ClH/c15-12-4-5-13(16)10(8-12)2-1-3-11-9-18-7-6-14(11)17;/h4-5,8,11,14,18H,1-3,6-7,9H2;1H/t11-,14-;/m0./s1
InChIKeyPDPPYXSLYIUJQY-XCBLFTOQSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.12
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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-Chlorophenyl)methyl)piperidine hydrochloride
CID 124106874
(3R,4R)-3-[2-(5-bromo-2-chlorophenyl)ethyl]-4-fluoropiperidine;hydrochloride
CID 9950618
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
(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride
CID 45260390
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
3-(5-Bromo-2-chlorophenyl)-1-ethyl-4-fluoropiperidine
CID 69592735
3-[2-(5-Bromo-2-chlorophenyl)ethyl]-4-fluoropiperidine
CID 69592736

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride?
The IUPAC name of (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride (CID 45260339) is (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride.
What is the SMILES notation for (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride?
The canonical SMILES for (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride is Cl.F[C@H]1CCNC[C@@H]1CCCc1cc(Br)ccc1Cl.
What is the InChIKey of (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride?
The InChIKey is PDPPYXSLYIUJQY-XCBLFTOQSA-N. The full InChI is InChI=1S/C14H18BrClFN.ClH/c15-12-4-5-13(16)10(8-12)2-1-3-11-9-18-7-6-14(11)17;/h4-5,8,11,14,18H,1-3,6-7,9H2;1H/t11-,14-;/m0./s1.
What are the key properties of (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride?
(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride has a molecular weight of 371.12 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride is sourced from PubChem (CID 45260339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).