4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine

C15H23NS — CID 18723211

IUPAC4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
SMILESCC1(C)CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C15H23NS/c1-15(2)8-10-16(11-9-15)12-13-17-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyPHDKYIQBTYZRRC-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.90
Rot. Bonds4

About 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine

4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine (PubChem CID 18723211) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
PubChem CID18723211
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
SMILESCC1(C)CCN(CCSc2ccccc2)CC1
InChIInChI=1S/C15H23NS/c1-15(2)8-10-16(11-9-15)12-13-17-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyPHDKYIQBTYZRRC-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylic acid
CID 79228199
3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol
CID 103728813
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-(2-phenylsulfanylethyl)-4-propylpiperidine-4-carboxylic acid
CID 79228801
3-methyl-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid
CID 79228539
1-(2-methylpropyl)-4-(2-phenylsulfanylethyl)piperazine
CID 112731206
4-methyl-1-(4-phenylsulfanylbutyl)piperidine-4-carboxylic acid
CID 175209892
4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine
CID 123799791
1-(2-chloroethyl)-4-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223203
1-(2-phenylsulfanylethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112731207
1-[2-(4-fluorophenyl)sulfanylethyl]-4-methylpiperidin-4-ol
CID 80707257
(4S)-1-methyl-2-oxo-8-(2-phenylsulfanylethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97208323

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine?
The IUPAC name of 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine (CID 18723211) is 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine.
What is the SMILES notation for 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine?
The canonical SMILES for 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine is CC1(C)CCN(CCSc2ccccc2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine?
The InChIKey is PHDKYIQBTYZRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-15(2)8-10-16(11-9-15)12-13-17-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine?
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine has a molecular weight of 249.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine is sourced from PubChem (CID 18723211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).