[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

C19H21FN2O — CID 56875757

IUPAC[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O/c20-18-7-5-15(6-8-18)3-4-16-2-1-13-22(14-16)19(23)17-9-11-21-12-10-17/h5-12,16H,1-4,13-14H2
InChIKeyPWWNDVRWFWXSFF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.71
Rot. Bonds4

About [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 56875757) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID56875757
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O/c20-18-7-5-15(6-8-18)3-4-16-2-1-13-22(14-16)19(23)17-9-11-21-12-10-17/h5-12,16H,1-4,13-14H2
InChIKeyPWWNDVRWFWXSFF-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 56875757) is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PWWNDVRWFWXSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-18-7-5-15(6-8-18)3-4-16-2-1-13-22(14-16)19(23)17-9-11-21-12-10-17/h5-12,16H,1-4,13-14H2.
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 312.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 56875757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).