2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine

C15H28N2O — CID 65170422

IUPAC2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
SMILESCC1(C2CC2)CNCCN1CCCC1CCCO1
InChIInChI=1S/C15H28N2O/c1-15(13-6-7-13)12-16-8-10-17(15)9-2-4-14-5-3-11-18-14/h13-14,16H,2-12H2,1H3
InChIKeyZWSWVUBDLCMORL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds5

About 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine

2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine (PubChem CID 65170422) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
PubChem CID65170422
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
SMILESCC1(C2CC2)CNCCN1CCCC1CCCO1
InChIInChI=1S/C15H28N2O/c1-15(13-6-7-13)12-16-8-10-17(15)9-2-4-14-5-3-11-18-14/h13-14,16H,2-12H2,1H3
InChIKeyZWSWVUBDLCMORL-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine (CID 65170422) is 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine is CC1(C2CC2)CNCCN1CCCC1CCCO1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
The InChIKey is ZWSWVUBDLCMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(13-6-7-13)12-16-8-10-17(15)9-2-4-14-5-3-11-18-14/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine?
2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine has a molecular weight of 252.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-1-[3-(oxolan-2-yl)propyl]piperazine is sourced from PubChem (CID 65170422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).