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

C16H25N3O2 — CID 75509202

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
SMILESCC(c1cccnc1)N1CCN(CCC2OCCO2)CC1
InChIInChI=1S/C16H25N3O2/c1-14(15-3-2-5-17-13-15)19-9-7-18(8-10-19)6-4-16-20-11-12-21-16/h2-3,5,13-14,16H,4,6-12H2,1H3
InChIKeyJKVGFGAHHMHYST-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.52
Rot. Bonds5

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

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine (PubChem CID 75509202) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
PubChem CID75509202
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
SMILESCC(c1cccnc1)N1CCN(CCC2OCCO2)CC1
InChIInChI=1S/C16H25N3O2/c1-14(15-3-2-5-17-13-15)19-9-7-18(8-10-19)6-4-16-20-11-12-21-16/h2-3,5,13-14,16H,4,6-12H2,1H3
InChIKeyJKVGFGAHHMHYST-UHFFFAOYSA-N
XLogP1.52
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)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

(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976764
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
3-[(1R)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyridine
CID 95276591
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
CID 82891931
N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953620
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 56789971
1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 95626118
1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 99788947
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine (CID 75509202) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine is CC(c1cccnc1)N1CCN(CCC2OCCO2)CC1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine?
The InChIKey is JKVGFGAHHMHYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14(15-3-2-5-17-13-15)19-9-7-18(8-10-19)6-4-16-20-11-12-21-16/h2-3,5,13-14,16H,4,6-12H2,1H3.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine has a molecular weight of 291.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 75509202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).