(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone

C17H23F2N3O — CID 119930485

IUPAC(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23F2N3O/c18-15-2-1-14(11-16(15)19)17(23)22-9-7-21(8-10-22)12-13-3-5-20-6-4-13/h1-2,11,13,20H,3-10,12H2
InChIKeyZUOPUNUKZZAZHF-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.72
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 119930485) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID119930485
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23F2N3O/c18-15-2-1-14(11-16(15)19)17(23)22-9-7-21(8-10-22)12-13-3-5-20-6-4-13/h1-2,11,13,20H,3-10,12H2
InChIKeyZUOPUNUKZZAZHF-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981002
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 119930739
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-fluorophenyl]acetamide
CID 47070444
1-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]ethanone
CID 120847538
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996
[4-(piperidin-4-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 119930706
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705338
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone (CID 119930485) is (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZUOPUNUKZZAZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c18-15-2-1-14(11-16(15)19)17(23)22-9-7-21(8-10-22)12-13-3-5-20-6-4-13/h1-2,11,13,20H,3-10,12H2.
What are the key properties of (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 323.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119930485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).