1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

C18H28ClNOS — CID 3056784

IUPAC1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCCCSc1ccc(C(=O)CCN2CCCCC2)cc1C.Cl
InChIInChI=1S/C18H27NOS.ClH/c1-3-13-21-18-8-7-16(14-15(18)2)17(20)9-12-19-10-5-4-6-11-19;/h7-8,14H,3-6,9-13H2,1-2H3;1H
InChIKeyJCOMQCNUCXHLMA-UHFFFAOYSA-N
MW341.95 g/mol
LogP4.98
Rot. Bonds7

About 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 3056784) has the molecular formula C18H28ClNOS and a molecular weight of 341.95 g/mol. Its IUPAC name is 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID3056784
Molecular FormulaC18H28ClNOS
Molecular Weight341.95 g/mol
Exact Mass341.16
IUPAC Name1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
SMILESCCCSc1ccc(C(=O)CCN2CCCCC2)cc1C.Cl
InChIInChI=1S/C18H27NOS.ClH/c1-3-13-21-18-8-7-16(14-15(18)2)17(20)9-12-19-10-5-4-6-11-19;/h7-8,14H,3-6,9-13H2,1-2H3;1H
InChIKeyJCOMQCNUCXHLMA-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.95
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-[4-(diethylamino)-3-methylphenyl]-3-pyrrolidin-1-ylpropan-1-one
CID 93194130
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
1-(4-propylsulfanylphenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 24843954
3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one
CID 82264418
3-methyl-4-(2-piperidin-1-ylethylsulfanyl)aniline
CID 43303226
1-(4-butoxy-3-chloro-5-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 3041910
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride (CID 3056784) is 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride is CCCSc1ccc(C(=O)CCN2CCCCC2)cc1C.Cl.
What is the InChIKey of 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is JCOMQCNUCXHLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS.ClH/c1-3-13-21-18-8-7-16(14-15(18)2)17(20)9-12-19-10-5-4-6-11-19;/h7-8,14H,3-6,9-13H2,1-2H3;1H.
What are the key properties of 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride?
1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 341.95 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propylsulfanylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 3056784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).