1-methyl-4-(2-phenylethylsulfanyl)piperidine

C14H21NS — CID 18722997

IUPAC1-methyl-4-(2-phenylethylsulfanyl)piperidine
SMILESCN1CCC(SCCc2ccccc2)CC1
InChIInChI=1S/C14H21NS/c1-15-10-7-14(8-11-15)16-12-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyHJUUGEBJPFRWPA-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.06
Rot. Bonds4

About 1-methyl-4-(2-phenylethylsulfanyl)piperidine

1-methyl-4-(2-phenylethylsulfanyl)piperidine (PubChem CID 18722997) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylethylsulfanyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-phenylethylsulfanyl)piperidine
PubChem CID18722997
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-methyl-4-(2-phenylethylsulfanyl)piperidine
SMILESCN1CCC(SCCc2ccccc2)CC1
InChIInChI=1S/C14H21NS/c1-15-10-7-14(8-11-15)16-12-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyHJUUGEBJPFRWPA-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylethylsulfanyl)piperidine?
The IUPAC name of 1-methyl-4-(2-phenylethylsulfanyl)piperidine (CID 18722997) is 1-methyl-4-(2-phenylethylsulfanyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-phenylethylsulfanyl)piperidine?
The canonical SMILES for 1-methyl-4-(2-phenylethylsulfanyl)piperidine is CN1CCC(SCCc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(2-phenylethylsulfanyl)piperidine?
The InChIKey is HJUUGEBJPFRWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-15-10-7-14(8-11-15)16-12-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of 1-methyl-4-(2-phenylethylsulfanyl)piperidine?
1-methyl-4-(2-phenylethylsulfanyl)piperidine has a molecular weight of 235.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylethylsulfanyl)piperidine is sourced from PubChem (CID 18722997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).