2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine

C15H23NS — CID 82499085

IUPAC2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
SMILESCC(C)Sc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C15H23NS/c1-12(2)17-15-8-6-13(7-9-15)11-14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10-11H2,1-2H3
InChIKeyYXLLNWZHGUIAHO-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.87
Rot. Bonds4

About 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine

2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine (PubChem CID 82499085) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
PubChem CID82499085
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
SMILESCC(C)Sc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C15H23NS/c1-12(2)17-15-8-6-13(7-9-15)11-14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10-11H2,1-2H3
InChIKeyYXLLNWZHGUIAHO-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 116825316
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine (CID 82499085) is 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine is CC(C)Sc1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine?
The InChIKey is YXLLNWZHGUIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12(2)17-15-8-6-13(7-9-15)11-14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine?
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine has a molecular weight of 249.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 82499085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).