(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone

C21H24ClFN2O2 — CID 167907037

IUPAC(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone
SMILESCC(O)(CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-21(27,16-4-8-18(23)9-5-16)14-24-19-10-12-25(13-11-19)20(26)15-2-6-17(22)7-3-15/h2-9,19,24,27H,10-14H2,1H3
InChIKeyJRXYGZLRIOQUOO-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.58
Rot. Bonds5

About (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone (PubChem CID 167907037) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone
PubChem CID167907037
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone
SMILESCC(O)(CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-21(27,16-4-8-18(23)9-5-16)14-24-19-10-12-25(13-11-19)20(26)15-2-6-17(22)7-3-15/h2-9,19,24,27H,10-14H2,1H3
InChIKeyJRXYGZLRIOQUOO-UHFFFAOYSA-N
XLogP3.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone
CID 154793754
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014668
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110291553
(4-chlorophenyl)-[3-[4-(4-fluoroanilino)piperidin-1-yl]pyrrolidin-1-yl]methanone
CID 143257051
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 119622987
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone (CID 167907037) is (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone is CC(O)(CNC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone?
The InChIKey is JRXYGZLRIOQUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-21(27,16-4-8-18(23)9-5-16)14-24-19-10-12-25(13-11-19)20(26)15-2-6-17(22)7-3-15/h2-9,19,24,27H,10-14H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone has a molecular weight of 390.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 167907037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).