1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine

C15H24N2OS — CID 162497394

IUPAC1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine
SMILESCOc1ccc(CSC(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-15(2,17-10-8-16-9-11-17)19-12-13-4-6-14(18-3)7-5-13/h4-7,16H,8-12H2,1-3H3
InChIKeyBIJRHQLJEHKPEB-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.57
Rot. Bonds5

About 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine

1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine (PubChem CID 162497394) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine
PubChem CID162497394
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine
SMILESCOc1ccc(CSC(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2OS/c1-15(2,17-10-8-16-9-11-17)19-12-13-4-6-14(18-3)7-5-13/h4-7,16H,8-12H2,1-3H3
InChIKeyBIJRHQLJEHKPEB-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropyl]piperazine
CID 15719169
S-[(4-methoxyphenyl)methyl] piperazine-1-carbothioate;hydrochloride
CID 87713842
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanoyl chloride
CID 21470441
3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanal
CID 10082931
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
2-(4-methoxyphenyl)-2-piperazin-1-ylbutanenitrile
CID 18070890
1-[2-[5-(4-methoxyphenyl)-2-pyridinyl]propan-2-yl]piperazine
CID 174680413
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine (CID 162497394) is 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine is COc1ccc(CSC(C)(C)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine?
The InChIKey is BIJRHQLJEHKPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2,17-10-8-16-9-11-17)19-12-13-4-6-14(18-3)7-5-13/h4-7,16H,8-12H2,1-3H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine?
1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine has a molecular weight of 280.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methylsulfanyl]propan-2-yl]piperazine is sourced from PubChem (CID 162497394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).