(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride

C17H22ClF3N2O — CID 119999686

IUPAC(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H21F3N2O.ClH/c18-17(19,20)14-5-3-13(4-6-14)16(23)22-10-7-12(8-11-22)15-2-1-9-21-15;/h3-6,12,15,21H,1-2,7-11H2;1H
InChIKeyFXAZGABDAGQURS-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.73
Rot. Bonds2

About (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride

(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 119999686) has the molecular formula C17H22ClF3N2O and a molecular weight of 362.82 g/mol. Its IUPAC name is (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID119999686
Molecular FormulaC17H22ClF3N2O
Molecular Weight362.82 g/mol
Exact Mass362.14
IUPAC Name(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H21F3N2O.ClH/c18-17(19,20)14-5-3-13(4-6-14)16(23)22-10-7-12(8-11-22)15-2-1-9-21-15;/h3-6,12,15,21H,1-2,7-11H2;1H
InChIKeyFXAZGABDAGQURS-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999427
(3-bromo-5-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999382
(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81294449

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 119999686) is (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride is Cl.O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is FXAZGABDAGQURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O.ClH/c18-17(19,20)14-5-3-13(4-6-14)16(23)22-10-7-12(8-11-22)15-2-1-9-21-15;/h3-6,12,15,21H,1-2,7-11H2;1H.
What are the key properties of (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 362.82 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119999686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).