4-benzylsulfanyl-4-ethyl-1-methylpiperidine

C15H23NS — CID 139924450

IUPAC4-benzylsulfanyl-4-ethyl-1-methylpiperidine
SMILESCCC1(SCc2ccccc2)CCN(C)CC1
InChIInChI=1S/C15H23NS/c1-3-15(9-11-16(2)12-10-15)17-13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyDDNBIALAFPGVNE-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.79
Rot. Bonds4

About 4-benzylsulfanyl-4-ethyl-1-methylpiperidine

4-benzylsulfanyl-4-ethyl-1-methylpiperidine (PubChem CID 139924450) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4-benzylsulfanyl-4-ethyl-1-methylpiperidine.

Molecular Properties

Compound Name4-benzylsulfanyl-4-ethyl-1-methylpiperidine
PubChem CID139924450
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-benzylsulfanyl-4-ethyl-1-methylpiperidine
SMILESCCC1(SCc2ccccc2)CCN(C)CC1
InChIInChI=1S/C15H23NS/c1-3-15(9-11-16(2)12-10-15)17-13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyDDNBIALAFPGVNE-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-methylpiperidin-4-amine
CID 39065776
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
CID 169435400
2-(1-benzylsulfanylcyclopentyl)acetonitrile
CID 75454459
(4-benzylsulfanylthian-4-yl)methanamine
CID 59136070
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
CID 142327017
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
(1-ethylcyclopropyl)sulfanylbenzene
CID 12836417
benzyl 1,4-dimethylpiperidine-4-carboxylate
CID 21050575
8-methyl-2-(2-methyl-1-phenylpropan-2-yl)-2,8-diazaspiro[4.5]decane
CID 91164772

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-4-ethyl-1-methylpiperidine?
The IUPAC name of 4-benzylsulfanyl-4-ethyl-1-methylpiperidine (CID 139924450) is 4-benzylsulfanyl-4-ethyl-1-methylpiperidine.
What is the SMILES notation for 4-benzylsulfanyl-4-ethyl-1-methylpiperidine?
The canonical SMILES for 4-benzylsulfanyl-4-ethyl-1-methylpiperidine is CCC1(SCc2ccccc2)CCN(C)CC1.
What is the InChIKey of 4-benzylsulfanyl-4-ethyl-1-methylpiperidine?
The InChIKey is DDNBIALAFPGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-15(9-11-16(2)12-10-15)17-13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3.
What are the key properties of 4-benzylsulfanyl-4-ethyl-1-methylpiperidine?
4-benzylsulfanyl-4-ethyl-1-methylpiperidine has a molecular weight of 249.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-4-ethyl-1-methylpiperidine is sourced from PubChem (CID 139924450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).