2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone

C18H25FN2O — CID 95802787

IUPAC2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(c2ccccc2F)CC1)N1CCCCC1
InChIInChI=1S/C18H25FN2O/c19-17-7-3-2-6-16(17)15-8-12-20(13-9-15)14-18(22)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyQSJKVMFNMYUOLZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.02
Rot. Bonds3

About 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone

2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 95802787) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID95802787
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(c2ccccc2F)CC1)N1CCCCC1
InChIInChI=1S/C18H25FN2O/c19-17-7-3-2-6-16(17)15-8-12-20(13-9-15)14-18(22)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2
InChIKeyQSJKVMFNMYUOLZ-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone (CID 95802787) is 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCC(c2ccccc2F)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is QSJKVMFNMYUOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-17-7-3-2-6-16(17)15-8-12-20(13-9-15)14-18(22)21-10-4-1-5-11-21/h2-3,6-7,15H,1,4-5,8-14H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 304.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 95802787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).