(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C13H18ClFN2O — CID 172646152

IUPAC(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCN[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10;/h4-7,12,15H,2-3,8-9H2,1H3;1H/t12-;/m0./s1
InChIKeyQPTHZTBOWOVKGF-YDALLXLXSA-N
MW272.75 g/mol
LogP2.07
Rot. Bonds2

About (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 172646152) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID172646152
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCN[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C13H17FN2O.ClH/c1-15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10;/h4-7,12,15H,2-3,8-9H2,1H3;1H/t12-;/m0./s1
InChIKeyQPTHZTBOWOVKGF-YDALLXLXSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 172646152) is (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CN[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is QPTHZTBOWOVKGF-YDALLXLXSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c1-15-12-3-2-8-16(9-12)13(17)10-4-6-11(14)7-5-10;/h4-7,12,15H,2-3,8-9H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 172646152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).