(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C17H23FN2O — CID 110868479

IUPAC(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23FN2O/c18-15-6-4-5-14(13-15)17(21)20-11-7-16(8-12-20)19-9-2-1-3-10-19/h4-6,13,16H,1-3,7-12H2
InChIKeyVHJLUGAUHVINGY-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.92
Rot. Bonds2

About (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 110868479) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID110868479
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23FN2O/c18-15-6-4-5-14(13-15)17(21)20-11-7-16(8-12-20)19-9-2-1-3-10-19/h4-6,13,16H,1-3,7-12H2
InChIKeyVHJLUGAUHVINGY-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 110868479) is (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1cccc(F)c1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is VHJLUGAUHVINGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-6-4-5-14(13-15)17(21)20-11-7-16(8-12-20)19-9-2-1-3-10-19/h4-6,13,16H,1-3,7-12H2.
What are the key properties of (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 290.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110868479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).