4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine

C15H22ClNS — CID 126759959

IUPAC4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine
SMILESCSC(C)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClNS/c1-12(18-2)17-9-7-14(8-10-17)11-13-3-5-15(16)6-4-13/h3-6,12,14H,7-11H2,1-2H3
InChIKeyQBXVPKGMXNKHIY-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.30
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine

4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine (PubChem CID 126759959) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine
PubChem CID126759959
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine
SMILESCSC(C)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClNS/c1-12(18-2)17-9-7-14(8-10-17)11-13-3-5-15(16)6-4-13/h3-6,12,14H,7-11H2,1-2H3
InChIKeyQBXVPKGMXNKHIY-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-amine
CID 104973645
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872
cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
CID 23587488
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
4-benzyl-1-[4-(4-chlorophenyl)but-3-ynyl]piperidine
CID 10497194
(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
CID 23587608
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879762
N-[(4-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543820
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine (CID 126759959) is 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine is CSC(C)N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine?
The InChIKey is QBXVPKGMXNKHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-12(18-2)17-9-7-14(8-10-17)11-13-3-5-15(16)6-4-13/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine?
4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine has a molecular weight of 283.87 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine is sourced from PubChem (CID 126759959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).