[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone

C14H12ClF6NO — CID 125129733

IUPAC[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H12ClF6NO/c15-11-4-2-1-3-10(11)12(23)22-6-8(13(16,17)18)5-9(7-22)14(19,20)21/h1-4,8-9H,5-7H2/t8-,9-/m1/s1
InChIKeyARSWEPKLQNRJPJ-RKDXNWHRSA-N
MW359.70 g/mol
LogP4.54
Rot. Bonds1

About [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone

[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 125129733) has the molecular formula C14H12ClF6NO and a molecular weight of 359.70 g/mol. Its IUPAC name is [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
PubChem CID125129733
Molecular FormulaC14H12ClF6NO
Molecular Weight359.70 g/mol
Exact Mass359.05
IUPAC Name[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H12ClF6NO/c15-11-4-2-1-3-10(11)12(23)22-6-8(13(16,17)18)5-9(7-22)14(19,20)21/h1-4,8-9H,5-7H2/t8-,9-/m1/s1
InChIKeyARSWEPKLQNRJPJ-RKDXNWHRSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone
CID 125129727
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
(2-chlorophenyl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164417
(3-azidoazetidin-1-yl)-(2-chlorophenyl)methanone
CID 121200452
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121020964
(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
CID 71809328

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone (CID 125129733) is [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is ARSWEPKLQNRJPJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H12ClF6NO/c15-11-4-2-1-3-10(11)12(23)22-6-8(13(16,17)18)5-9(7-22)14(19,20)21/h1-4,8-9H,5-7H2/t8-,9-/m1/s1.
What are the key properties of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone?
[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 359.70 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 125129733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).