2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine

C14H22N4O2 — CID 138809318

IUPAC2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CCC3COCCO3)CC2)nc1
InChIInChI=1S/C14H22N4O2/c1-3-15-14(16-4-1)18-8-6-17(7-9-18)5-2-13-12-19-10-11-20-13/h1,3-4,13H,2,5-12H2
InChIKeyVJSPHQCSWQZEAN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.40
Rot. Bonds4

About 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine

2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 138809318) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
PubChem CID138809318
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CCC3COCCO3)CC2)nc1
InChIInChI=1S/C14H22N4O2/c1-3-15-14(16-4-1)18-8-6-17(7-9-18)5-2-13-12-19-10-11-20-13/h1,3-4,13H,2,5-12H2
InChIKeyVJSPHQCSWQZEAN-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine 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-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91767847
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 79569923
1-[2-(1,4-dioxan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 138808675
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138808586
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
CID 138807936
2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 91660731
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 138808108

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine (CID 138809318) is 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine is c1cnc(N2CCN(CCC3COCCO3)CC2)nc1.
What is the InChIKey of 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is VJSPHQCSWQZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-15-14(16-4-1)18-8-6-17(7-9-18)5-2-13-12-19-10-11-20-13/h1,3-4,13H,2,5-12H2.
What are the key properties of 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine?
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 278.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 138809318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).