(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride

C18H25ClFNO2 — CID 46197123

IUPAC(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H24FNO2.ClH/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21;/h5-8,14,16-17,21H,1-4,9-12H2;1H/t16-,17-;/m1./s1
InChIKeyXKKLPTKVUHGIPN-GBNZRNLASA-N
MW341.85 g/mol
LogP3.45
Rot. Bonds3

About (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride

(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride (PubChem CID 46197123) has the molecular formula C18H25ClFNO2 and a molecular weight of 341.85 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride
PubChem CID46197123
Molecular FormulaC18H25ClFNO2
Molecular Weight341.85 g/mol
Exact Mass341.16
IUPAC Name(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C18H24FNO2.ClH/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21;/h5-8,14,16-17,21H,1-4,9-12H2;1H/t16-,17-;/m1./s1
InChIKeyXKKLPTKVUHGIPN-GBNZRNLASA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-4-yl]piperidin-4-yl]methanone
CID 53391632
1-(4-Fluoro-phenyl)-4-(4-hydroxy-piperidin-1-yl)-butan-1-one
CID 29734
(+)-trans-(4-Fluorophenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)methanone
CID 25233586
Dihydrolenperone
CID 100146
Lenperone Hydrochloride
CID 24198694
1-[1-(2-Hydroxy-cyclohexyl)-4-phenyl-piperidin-4-yl]-propan-1-one
CID 15925771
1-(1-((1R,2R)-2-hydroxycyclohexyl)-4-phenylpiperidin-4-yl)propan-1-one
CID 15925772
(2-Fluorobiphenyl-4-yl)[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 16187738
[1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-yl]-phenylmethanone;hydrochloride
CID 46196785
(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone
CID 46197007
[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 46197122
(4-bromophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride
CID 46197124

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride (CID 46197123) is (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)C1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride?
The InChIKey is XKKLPTKVUHGIPN-GBNZRNLASA-N. The full InChI is InChI=1S/C18H24FNO2.ClH/c19-15-7-5-13(6-8-15)18(22)14-9-11-20(12-10-14)16-3-1-2-4-17(16)21;/h5-8,14,16-17,21H,1-4,9-12H2;1H/t16-,17-;/m1./s1.
What are the key properties of (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride?
(4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride has a molecular weight of 341.85 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 46197123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).