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

C16H20ClFN2O — CID 63256766

IUPAC(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H20ClFN2O/c17-13-10-11(18)6-7-12(13)16(21)20-9-2-1-5-15(20)14-4-3-8-19-14/h6-7,10,14-15,19H,1-5,8-9H2
InChIKeyWMVSDUPYUJYKEG-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.23
Rot. Bonds2

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

(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63256766) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63256766
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCCC1C1CCCN1
InChIInChI=1S/C16H20ClFN2O/c17-13-10-11(18)6-7-12(13)16(21)20-9-2-1-5-15(20)14-4-3-8-19-14/h6-7,10,14-15,19H,1-5,8-9H2
InChIKeyWMVSDUPYUJYKEG-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274236
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
(3-chloro-2-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81265009
(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256807
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256799
(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 82878824
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
[2-(bromomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 80658555
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256547
(2-methylsulfanylphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 79213916
(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81477265
(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274407

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63256766) is (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(F)cc1Cl)N1CCCCC1C1CCCN1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is WMVSDUPYUJYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-13-10-11(18)6-7-12(13)16(21)20-9-2-1-5-15(20)14-4-3-8-19-14/h6-7,10,14-15,19H,1-5,8-9H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 310.80 g/mol, XLogP of 3.23, 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)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63256766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).