(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride

C15H23ClN2OS — CID 119473409

IUPAC(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
SMILESCC(C)Sc1ccc(C(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-11(2)19-14-6-4-13(5-7-14)15(18)17-9-8-16-10-12(17)3;/h4-7,11-12,16H,8-10H2,1-3H3;1H
InChIKeyNUYHWYGATUNHLQ-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.04
Rot. Bonds3

About (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride

(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride (PubChem CID 119473409) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
PubChem CID119473409
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
SMILESCC(C)Sc1ccc(C(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-11(2)19-14-6-4-13(5-7-14)15(18)17-9-8-16-10-12(17)3;/h4-7,11-12,16H,8-10H2,1-3H3;1H
InChIKeyNUYHWYGATUNHLQ-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470085

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride (CID 119473409) is (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride is CC(C)Sc1ccc(C(=O)N2CCNCC2C)cc1.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
The InChIKey is NUYHWYGATUNHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-11(2)19-14-6-4-13(5-7-14)15(18)17-9-8-16-10-12(17)3;/h4-7,11-12,16H,8-10H2,1-3H3;1H.
What are the key properties of (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119473409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).