(3S)-3-(3-fluorophenyl)piperidine;hydrochloride

C11H15ClFN — CID 45074276

IUPAC(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1cccc([C@@H]2CCCNC2)c1
InChIInChI=1S/C11H14FN.ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;/h1,3,5,7,10,13H,2,4,6,8H2;1H/t10-;/m1./s1
InChIKeyMXCZNHNUNCBCBD-HNCPQSOCSA-N
MW215.70 g/mol
LogP2.71
Rot. Bonds1

About (3S)-3-(3-fluorophenyl)piperidine;hydrochloride

(3S)-3-(3-fluorophenyl)piperidine;hydrochloride (PubChem CID 45074276) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
PubChem CID45074276
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1cccc([C@@H]2CCCNC2)c1
InChIInChI=1S/C11H14FN.ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;/h1,3,5,7,10,13H,2,4,6,8H2;1H/t10-;/m1./s1
InChIKeyMXCZNHNUNCBCBD-HNCPQSOCSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
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3-(3-chloro-5-fluorophenyl)piperidine
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3-naphthalen-2-ylpiperidine;hydrochloride
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3-(3-fluorophenyl)azetidine;heptane;hydrochloride
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8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
2-fluoro-4-piperidin-3-ylphenol
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CID 93478585

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)piperidine;hydrochloride?
The IUPAC name of (3S)-3-(3-fluorophenyl)piperidine;hydrochloride (CID 45074276) is (3S)-3-(3-fluorophenyl)piperidine;hydrochloride.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)piperidine;hydrochloride?
The canonical SMILES for (3S)-3-(3-fluorophenyl)piperidine;hydrochloride is Cl.Fc1cccc([C@@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)piperidine;hydrochloride?
The InChIKey is MXCZNHNUNCBCBD-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14FN.ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;/h1,3,5,7,10,13H,2,4,6,8H2;1H/t10-;/m1./s1.
What are the key properties of (3S)-3-(3-fluorophenyl)piperidine;hydrochloride?
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)piperidine;hydrochloride is sourced from PubChem (CID 45074276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).