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

C14H22N2S — CID 116825316

IUPAC2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
SMILESCC(C)Sc1ccc(CC2CNCCN2)cc1
InChIInChI=1S/C14H22N2S/c1-11(2)17-14-5-3-12(4-6-14)9-13-10-15-7-8-16-13/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyWHBDDOCYWQWNSJ-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.29
Rot. Bonds4

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

2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine (PubChem CID 116825316) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
PubChem CID116825316
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
SMILESCC(C)Sc1ccc(CC2CNCCN2)cc1
InChIInChI=1S/C14H22N2S/c1-11(2)17-14-5-3-12(4-6-14)9-13-10-15-7-8-16-13/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyWHBDDOCYWQWNSJ-UHFFFAOYSA-N
XLogP2.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
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4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide
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2-benzyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
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2-methyl-5-(piperazin-2-ylmethyl)phenol
CID 22342761
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(2S)-2-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
The IUPAC name of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine (CID 116825316) is 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine.
What is the SMILES notation for 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
The canonical SMILES for 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine is CC(C)Sc1ccc(CC2CNCCN2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
The InChIKey is WHBDDOCYWQWNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(2)17-14-5-3-12(4-6-14)9-13-10-15-7-8-16-13/h3-6,11,13,15-16H,7-10H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine?
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine has a molecular weight of 250.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine is sourced from PubChem (CID 116825316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).