[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C18H25FN2O — CID 47025111

IUPAC[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2
InChIKeyUYNYFISWCANLSE-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.16
Rot. Bonds3

About [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 47025111) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID47025111
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2
InChIKeyUYNYFISWCANLSE-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930083
N-(cyclohexylmethyl)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 78898190
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(5R)-5-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 124735451
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(3-iodophenyl)methanone
CID 95751596
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
(4-cycloheptylpiperazin-4-ium-1-yl)-(3-fluorophenyl)methanone
CID 4744206
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone
CID 97396892
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 47025111) is [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is UYNYFISWCANLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2.
What are the key properties of [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 304.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 47025111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).