1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine

C16H24N2S — CID 80730519

IUPAC1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine
SMILESCC1(CN2CCNCC2c2ccccc2)CCCS1
InChIInChI=1S/C16H24N2S/c1-16(8-5-11-19-16)13-18-10-9-17-12-15(18)14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyLIFWBVLFMSLMCV-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.92
Rot. Bonds3

About 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine

1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine (PubChem CID 80730519) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine
PubChem CID80730519
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine
SMILESCC1(CN2CCNCC2c2ccccc2)CCCS1
InChIInChI=1S/C16H24N2S/c1-16(8-5-11-19-16)13-18-10-9-17-12-15(18)14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKeyLIFWBVLFMSLMCV-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
CID 114102162
1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine
CID 80725162
1-[(2-methylthiolan-2-yl)methyl]-3-phenylpiperazine
CID 80731277
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
1-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
1-[(2-methylthiolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 80724055
1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine
CID 64834543
1-(3-ethoxypropyl)-2-phenylpiperazine
CID 64938444
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine?
The IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine (CID 80730519) is 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine.
What is the SMILES notation for 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine?
The canonical SMILES for 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine is CC1(CN2CCNCC2c2ccccc2)CCCS1.
What is the InChIKey of 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine?
The InChIKey is LIFWBVLFMSLMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-16(8-5-11-19-16)13-18-10-9-17-12-15(18)14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3.
What are the key properties of 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine?
1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine has a molecular weight of 276.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine is sourced from PubChem (CID 80730519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).