3-[(4-ethylsulfanylphenyl)methyl]piperidine

C14H21NS — CID 82496706

IUPAC3-[(4-ethylsulfanylphenyl)methyl]piperidine
SMILESCCSc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C14H21NS/c1-2-16-14-7-5-12(6-8-14)10-13-4-3-9-15-11-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyKUCAKHKJLIMMRW-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.34
Rot. Bonds4

About 3-[(4-ethylsulfanylphenyl)methyl]piperidine

3-[(4-ethylsulfanylphenyl)methyl]piperidine (PubChem CID 82496706) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-[(4-ethylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-ethylsulfanylphenyl)methyl]piperidine
PubChem CID82496706
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-[(4-ethylsulfanylphenyl)methyl]piperidine
SMILESCCSc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C14H21NS/c1-2-16-14-7-5-12(6-8-14)10-13-4-3-9-15-11-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyKUCAKHKJLIMMRW-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
4-(azepan-3-ylmethyl)aniline
CID 131866248
3-(4-ethylsulfanylphenyl)pyrrolidine
CID 82492447
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 3-[(4-ethylsulfanylphenyl)methyl]piperidine (CID 82496706) is 3-[(4-ethylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-ethylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(4-ethylsulfanylphenyl)methyl]piperidine is CCSc1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 3-[(4-ethylsulfanylphenyl)methyl]piperidine?
The InChIKey is KUCAKHKJLIMMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-16-14-7-5-12(6-8-14)10-13-4-3-9-15-11-13/h5-8,13,15H,2-4,9-11H2,1H3.
What are the key properties of 3-[(4-ethylsulfanylphenyl)methyl]piperidine?
3-[(4-ethylsulfanylphenyl)methyl]piperidine has a molecular weight of 235.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 82496706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).