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

C17H24ClF2N3O — CID 119930484

IUPAC(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)c(F)c1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23F2N3O.ClH/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;1H
InChIKeyVLZWYHLJWMMZOL-UHFFFAOYSA-N
MW359.85 g/mol
LogP2.14
Rot. Bonds3

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

(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119930484) has the molecular formula C17H24ClF2N3O and a molecular weight of 359.85 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119930484
Molecular FormulaC17H24ClF2N3O
Molecular Weight359.85 g/mol
Exact Mass359.16
IUPAC Name(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)c(F)c1)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23F2N3O.ClH/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;1H
InChIKeyVLZWYHLJWMMZOL-UHFFFAOYSA-N
XLogP2.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 52.14
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
CID 119930485
(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
(2-chloro-6-fluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930996
[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
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930221
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 119930484) is (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is Cl.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;hydrochloride?
The InChIKey is VLZWYHLJWMMZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O.ClH/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;1H.
What are the key properties of (3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 359.85 g/mol, XLogP of 2.14, 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;hydrochloride is sourced from PubChem (CID 119930484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).