1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine

C17H26N2O2 — CID 163344961

IUPAC1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
SMILESCc1cccc(N2CCN(CCC3OCCO3)CC2)c1C
InChIInChI=1S/C17H26N2O2/c1-14-4-3-5-16(15(14)2)19-10-8-18(9-11-19)7-6-17-20-12-13-21-17/h3-5,17H,6-13H2,1-2H3
InChIKeyNGWMWYCRVYUMQZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine

1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine (PubChem CID 163344961) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
PubChem CID163344961
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
SMILESCc1cccc(N2CCN(CCC3OCCO3)CC2)c1C
InChIInChI=1S/C17H26N2O2/c1-14-4-3-5-16(15(14)2)19-10-8-18(9-11-19)7-6-17-20-12-13-21-17/h3-5,17H,6-13H2,1-2H3
InChIKeyNGWMWYCRVYUMQZ-UHFFFAOYSA-N
XLogP2.19
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]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-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
CID 138806981
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
CID 61071831
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-tert-butyl-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111805965
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine (CID 163344961) is 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine is Cc1cccc(N2CCN(CCC3OCCO3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
The InChIKey is NGWMWYCRVYUMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-4-3-5-16(15(14)2)19-10-8-18(9-11-19)7-6-17-20-12-13-21-17/h3-5,17H,6-13H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine?
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 163344961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).