5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine

C18H26N2S — CID 103064937

IUPAC5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine
SMILESCC1(C2CC2)CN(C2CCSC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H26N2S/c1-18(15-7-8-15)13-20(16-9-10-21-12-16)17(11-19-18)14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3
InChIKeyJYENMEKMJXBSFT-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.31
Rot. Bonds3

About 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine

5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine (PubChem CID 103064937) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine
PubChem CID103064937
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine
SMILESCC1(C2CC2)CN(C2CCSC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H26N2S/c1-18(15-7-8-15)13-20(16-9-10-21-12-16)17(11-19-18)14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3
InChIKeyJYENMEKMJXBSFT-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dicyclopropyl-5-methyl-2-phenylpiperazine
CID 64930453
1-cyclobutyl-5-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64948501
5-cyclopropyl-1-(2,2-dimethylpropyl)-5-methyl-2-phenylpiperazine
CID 64935717
1-cyclopentyl-5-ethyl-5-methyl-2-phenylpiperazine
CID 64932022
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614
3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64932194
4-cyclopropyl-3-phenyl-1,4-diazaspiro[5.5]undecane
CID 64931427
5-cyclopropyl-2-ethyl-5-methyl-1-(1-phenylethyl)piperazine
CID 64932001
(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine
CID 114263379
5-cyclopropyl-2,5-dimethyl-1-(4-methylcyclohexyl)piperazine
CID 64932458
5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
CID 64945697
5-ethyl-1,5-dimethyl-2-phenylpiperazine
CID 64849289

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine (CID 103064937) is 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine is CC1(C2CC2)CN(C2CCSC2)C(c2ccccc2)CN1.
What is the InChIKey of 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine?
The InChIKey is JYENMEKMJXBSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-18(15-7-8-15)13-20(16-9-10-21-12-16)17(11-19-18)14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3.
What are the key properties of 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine?
5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine has a molecular weight of 302.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-2-phenyl-1-(thiolan-3-yl)piperazine is sourced from PubChem (CID 103064937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).