2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride

C13H18ClFN2O — CID 119338691

IUPAC2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O.ClH/c14-11-6-4-10(5-7-11)12-3-1-2-8-16(12)13(17)9-15;/h4-7,12H,1-3,8-9,15H2;1H
InChIKeyVYTABBNNGXVOKI-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.26
Rot. Bonds2

About 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride

2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119338691) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119338691
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O.ClH/c14-11-6-4-10(5-7-11)12-3-1-2-8-16(12)13(17)9-15;/h4-7,12H,1-3,8-9,15H2;1H
InChIKeyVYTABBNNGXVOKI-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119699976
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 125120184
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952236
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
2-[4-[(2S)-2-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97142895
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120785269

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride (CID 119338691) is 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is VYTABBNNGXVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c14-11-6-4-10(5-7-11)12-3-1-2-8-16(12)13(17)9-15;/h4-7,12H,1-3,8-9,15H2;1H.
What are the key properties of 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride?
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119338691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).