(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

C17H24ClF2N3O — CID 119931000

IUPAC(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1F)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23F2N3O.ClH/c18-14-2-1-3-15(19)16(14)17(23)22-10-8-21(9-11-22)12-13-4-6-20-7-5-13;/h1-3,13,20H,4-12H2;1H
InChIKeyPNTPUOIYOJSQIV-UHFFFAOYSA-N
MW359.85 g/mol
LogP2.14
Rot. Bonds3

About (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119931000) has the molecular formula C17H24ClF2N3O and a molecular weight of 359.85 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119931000
Molecular FormulaC17H24ClF2N3O
Molecular Weight359.85 g/mol
Exact Mass359.16
IUPAC Name(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1F)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H23F2N3O.ClH/c18-14-2-1-3-15(19)16(14)17(23)22-10-8-21(9-11-22)12-13-4-6-20-7-5-13;/h1-3,13,20H,4-12H2;1H
InChIKeyPNTPUOIYOJSQIV-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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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 119931000) is (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1c(F)cccc1F)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is PNTPUOIYOJSQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O.ClH/c18-14-2-1-3-15(19)16(14)17(23)22-10-8-21(9-11-22)12-13-4-6-20-7-5-13;/h1-3,13,20H,4-12H2;1H.
What are the key properties of (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
(2,6-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 (2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119931000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).