3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine

C14H26N2O — CID 83039042

IUPAC3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine
SMILESCC1(C)CC(N2CCNC(C3CC3)C2)CCO1
InChIInChI=1S/C14H26N2O/c1-14(2)9-12(5-8-17-14)16-7-6-15-13(10-16)11-3-4-11/h11-13,15H,3-10H2,1-2H3
InChIKeyMBPSZBCCFCBSBT-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds2

About 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine

3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine (PubChem CID 83039042) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine
PubChem CID83039042
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine
SMILESCC1(C)CC(N2CCNC(C3CC3)C2)CCO1
InChIInChI=1S/C14H26N2O/c1-14(2)9-12(5-8-17-14)16-7-6-15-13(10-16)11-3-4-11/h11-13,15H,3-10H2,1-2H3
InChIKeyMBPSZBCCFCBSBT-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine?
The IUPAC name of 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine (CID 83039042) is 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine?
The canonical SMILES for 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine is CC1(C)CC(N2CCNC(C3CC3)C2)CCO1.
What is the InChIKey of 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine?
The InChIKey is MBPSZBCCFCBSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)9-12(5-8-17-14)16-7-6-15-13(10-16)11-3-4-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine?
3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2-dimethyloxan-4-yl)piperazine is sourced from PubChem (CID 83039042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).