[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride

C15H20Cl2N2OS2 — CID 120803118

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCCS1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2OS2.ClH/c16-12-3-1-2-11(8-12)13-9-17-4-5-18(13)15(19)14-10-20-6-7-21-14;/h1-3,8,13-14,17H,4-7,9-10H2;1H
InChIKeyZQZZRELMDRNKBW-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.08
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride

[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride (PubChem CID 120803118) has the molecular formula C15H20Cl2N2OS2 and a molecular weight of 379.38 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
PubChem CID120803118
Molecular FormulaC15H20Cl2N2OS2
Molecular Weight379.38 g/mol
Exact Mass378.04
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCCS1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2OS2.ClH/c16-12-3-1-2-11(8-12)13-9-17-4-5-18(13)15(19)14-10-20-6-7-21-14;/h1-3,8,13-14,17H,4-7,9-10H2;1H
InChIKeyZQZZRELMDRNKBW-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dithian-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731635
(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
CID 120803117
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
3-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
CID 120803142
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride (CID 120803118) is [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride is Cl.O=C(C1CSCCS1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride?
The InChIKey is ZQZZRELMDRNKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS2.ClH/c16-12-3-1-2-11(8-12)13-9-17-4-5-18(13)15(19)14-10-20-6-7-21-14;/h1-3,8,13-14,17H,4-7,9-10H2;1H.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride?
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride has a molecular weight of 379.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120803118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).