[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H22ClFN2O — CID 2903806

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C17H22ClFN2O/c18-15-4-3-5-16(19)14(15)12-20-10-6-13(7-11-20)17(22)21-8-1-2-9-21/h3-5,13H,1-2,6-12H2
InChIKeyRQWYRKHDSQKEAQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.31
Rot. Bonds3

About [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2903806) has the molecular formula C17H22ClFN2O and a molecular weight of 324.83 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID2903806
Molecular FormulaC17H22ClFN2O
Molecular Weight324.83 g/mol
Exact Mass324.14
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C17H22ClFN2O/c18-15-4-3-5-16(19)14(15)12-20-10-6-13(7-11-20)17(22)21-8-1-2-9-21/h3-5,13H,1-2,6-12H2
InChIKeyRQWYRKHDSQKEAQ-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 2903806) is [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RQWYRKHDSQKEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O/c18-15-4-3-5-16(19)14(15)12-20-10-6-13(7-11-20)17(22)21-8-1-2-9-21/h3-5,13H,1-2,6-12H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.83 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2903806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).