(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H20ClFN2O — CID 63259329

IUPAC(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20ClFN2O/c17-14-10-12(18)3-4-13(14)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2
InChIKeyJWIPTYXBWDYSCF-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.08
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63259329) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63259329
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20ClFN2O/c17-14-10-12(18)3-4-13(14)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2
InChIKeyJWIPTYXBWDYSCF-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999531
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256766
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(4-chloro-6-fluoro-1H-indol-2-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 166286465
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81294449
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63259218
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(2,4-difluorophenyl)methanone
CID 102679989
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63259329) is (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(F)cc1Cl)N1CCC(C2CCCN2)CC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is JWIPTYXBWDYSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-14-10-12(18)3-4-13(14)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 310.80 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63259329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).