(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone

C18H20FNO — CID 142647632

IUPAC(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)C1(F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C18H20FNO/c19-18(17(21)16-8-12-20-13-9-16)10-6-15(7-11-18)14-4-2-1-3-5-14/h1-7,10,16,20H,8-9,11-13H2
InChIKeyFDJOOOZEVOKJCT-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.31
Rot. Bonds3

About (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone

(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone (PubChem CID 142647632) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone
PubChem CID142647632
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)C1(F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C18H20FNO/c19-18(17(21)16-8-12-20-13-9-16)10-6-15(7-11-18)14-4-2-1-3-5-14/h1-7,10,16,20H,8-9,11-13H2
InChIKeyFDJOOOZEVOKJCT-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone (CID 142647632) is (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone is O=C(C1CCNCC1)C1(F)C=CC(c2ccccc2)=CC1.
What is the InChIKey of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone?
The InChIKey is FDJOOOZEVOKJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-18(17(21)16-8-12-20-13-9-16)10-6-15(7-11-18)14-4-2-1-3-5-14/h1-7,10,16,20H,8-9,11-13H2.
What are the key properties of (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone?
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone has a molecular weight of 285.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 142647632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).