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

C16H20ClFN2O — CID 63259160

IUPAC(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20ClFN2O/c17-12-3-4-14(18)13(10-12)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
InChIKeyVWMYGKHSCNEEHB-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.08
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63259160) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63259160
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20ClFN2O/c17-12-3-4-14(18)13(10-12)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
InChIKeyVWMYGKHSCNEEHB-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

(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
(5-chloro-2-iodophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103832102
(4-bromo-2-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999531
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259023
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(4-chloro-1-methylpyrrol-2-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259032
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999427
(3-fluoro-4-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999600
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81294449

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63259160) is (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCC(C2CCCN2)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is VWMYGKHSCNEEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-12-3-4-14(18)13(10-12)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 (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(5-chloro-2-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 (5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63259160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).