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

C18H25FN2O — CID 16674603

IUPAC2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C18H25FN2O/c19-17-6-4-15(5-7-17)16-8-12-20(13-9-16)14-18(22)21-10-2-1-3-11-21/h4-7,16H,1-3,8-14H2
InChIKeyHCAHVBKPFFEDQJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.02
Rot. Bonds3

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

2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 16674603) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID16674603
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCC(c2ccc(F)cc2)CC1)N1CCCCC1
InChIInChI=1S/C18H25FN2O/c19-17-6-4-15(5-7-17)16-8-12-20(13-9-16)14-18(22)21-10-2-1-3-11-21/h4-7,16H,1-3,8-14H2
InChIKeyHCAHVBKPFFEDQJ-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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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
N-[(3R)-1-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 97098448
4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one
CID 124888618
1-(azepan-1-yl)-2-[4-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 55466088
1-[3-(4-fluorophenyl)azepan-1-yl]propan-1-one
CID 90608725
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
1-(azepan-1-yl)-2-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95707310
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 167772223
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 45236654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone (CID 16674603) is 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCC(c2ccc(F)cc2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is HCAHVBKPFFEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-17-6-4-15(5-7-17)16-8-12-20(13-9-16)14-18(22)21-10-2-1-3-11-21/h4-7,16H,1-3,8-14H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(4-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-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 16674603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).