5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine

C14H26N2O2 — CID 64934971

IUPAC5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1CC1COCCO1
InChIInChI=1S/C14H26N2O2/c1-11-7-15-14(2,12-3-4-12)10-16(11)8-13-9-17-5-6-18-13/h11-13,15H,3-10H2,1-2H3
InChIKeyNRFQIOCAQGSDMI-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.86
Rot. Bonds3

About 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine

5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine (PubChem CID 64934971) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine
PubChem CID64934971
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1CC1COCCO1
InChIInChI=1S/C14H26N2O2/c1-11-7-15-14(2,12-3-4-12)10-16(11)8-13-9-17-5-6-18-13/h11-13,15H,3-10H2,1-2H3
InChIKeyNRFQIOCAQGSDMI-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine (CID 64934971) is 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine is CC1CNC(C)(C2CC2)CN1CC1COCCO1.
What is the InChIKey of 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine?
The InChIKey is NRFQIOCAQGSDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-7-15-14(2,12-3-4-12)10-16(11)8-13-9-17-5-6-18-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine?
5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine has a molecular weight of 254.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,4-dioxan-2-ylmethyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64934971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).