2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride

C15H22ClFN2O — CID 154892363

IUPAC2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O.ClH/c16-14-7-5-12(6-8-14)3-4-13-2-1-9-18(11-13)15(19)10-17;/h5-8,13H,1-4,9-11,17H2;1H
InChIKeyTYJASMXHSMABIO-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.38
Rot. Bonds4

About 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride

2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride (PubChem CID 154892363) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
PubChem CID154892363
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O.ClH/c16-14-7-5-12(6-8-14)3-4-13-2-1-9-18(11-13)15(19)10-17;/h5-8,13H,1-4,9-11,17H2;1H
InChIKeyTYJASMXHSMABIO-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139
1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 95403136
(2,3-difluorophenyl)-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95557591
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride (CID 154892363) is 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is TYJASMXHSMABIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c16-14-7-5-12(6-8-14)3-4-13-2-1-9-18(11-13)15(19)10-17;/h5-8,13H,1-4,9-11,17H2;1H.
What are the key properties of 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride?
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 300.80 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 154892363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).