[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride

C17H22ClF3N2O2 — CID 166001197

IUPAC[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(C2CCNCC2)cc1OC(F)(F)F)N1CCCC1
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)24-15-11-13(12-5-7-21-8-6-12)3-4-14(15)16(23)22-9-1-2-10-22;/h3-4,11-12,21H,1-2,5-10H2;1H
InChIKeyWVVHZXCZQBUSDP-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.71
Rot. Bonds3

About [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride

[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 166001197) has the molecular formula C17H22ClF3N2O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID166001197
Molecular FormulaC17H22ClF3N2O2
Molecular Weight378.82 g/mol
Exact Mass378.13
IUPAC Name[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(C2CCNCC2)cc1OC(F)(F)F)N1CCCC1
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)24-15-11-13(12-5-7-21-8-6-12)3-4-14(15)16(23)22-9-1-2-10-22;/h3-4,11-12,21H,1-2,5-10H2;1H
InChIKeyWVVHZXCZQBUSDP-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 166001211
4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001167
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
[3-(4-fluorophenyl)azepan-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 121146325
N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393398
(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 171361971
N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393402
N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393396
(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
(3,3-difluoropyrrolidin-1-yl)-(2-methyl-5-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361907

Frequently Asked Questions

What is the IUPAC name of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 166001197) is [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride is Cl.O=C(c1ccc(C2CCNCC2)cc1OC(F)(F)F)N1CCCC1.
What is the InChIKey of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is WVVHZXCZQBUSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)24-15-11-13(12-5-7-21-8-6-12)3-4-14(15)16(23)22-9-1-2-10-22;/h3-4,11-12,21H,1-2,5-10H2;1H.
What are the key properties of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride?
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 166001197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).