4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine

C15H22ClNS — CID 117456610

IUPAC4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
SMILESCC(C)Sc1ccc(CC2CCNCC2)cc1Cl
InChIInChI=1S/C15H22ClNS/c1-11(2)18-15-4-3-13(10-14(15)16)9-12-5-7-17-8-6-12/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyYMKIJDRMEDHYSS-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.38
Rot. Bonds4

About 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine

4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine (PubChem CID 117456610) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
PubChem CID117456610
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
SMILESCC(C)Sc1ccc(CC2CCNCC2)cc1Cl
InChIInChI=1S/C15H22ClNS/c1-11(2)18-15-4-3-13(10-14(15)16)9-12-5-7-17-8-6-12/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyYMKIJDRMEDHYSS-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 117481410
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2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
CID 117117892
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
CID 117343574
4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
CID 84798985
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
CID 84803651
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine
CID 117468071
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
CID 84799410

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine (CID 117456610) is 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine is CC(C)Sc1ccc(CC2CCNCC2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine?
The InChIKey is YMKIJDRMEDHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-11(2)18-15-4-3-13(10-14(15)16)9-12-5-7-17-8-6-12/h3-4,10-12,17H,5-9H2,1-2H3.
What are the key properties of 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine?
4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine has a molecular weight of 283.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 117456610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).