ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine

C13H28N2O — CID 145468320

IUPACethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine
SMILESCC.CCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-2-12-5-7-13(8-6-12)10-11-4-3-9-14-11;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyNDSMDYKJCZLVEQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds3

About ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine

ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine (PubChem CID 145468320) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Nameethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine
PubChem CID145468320
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine
SMILESCC.CCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-2-12-5-7-13(8-6-12)10-11-4-3-9-14-11;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyNDSMDYKJCZLVEQ-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Tetrahydro-2-furylmethyl)piperazine
CID 2737265
(2-Aminoethyl)(methyl)((oxolan-2-yl)methyl)amine
CID 43373754
1-(Oxolan-2-ylmethyl)-4-prop-2-enylpiperazine
CID 51073526
1-(2-Tetrahydrofurylmethyl)piperidine
CID 566526
1-(3-Methoxypropyl)-4-(oxolan-2-ylmethyl)piperazine
CID 53523762
4-Tetrahydrofurfurylmorpholine
CID 12075954
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 10998362
N-(cyclopropylmethyl)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 75400617
1-Ethyl-4-(oxolan-2-ylmethyl)piperazine
CID 11735766
Xrrhjiqqgpdfne-uhfffaoysa-
CID 12075955
1-((Tetrahydrofuran-2-yl)methyl)piperazine hydrochloride
CID 43810427
Trimethyl(oxolan-2-ylmethyl)azanium
CID 40310

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine (CID 145468320) is ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine is CC.CCN1CCN(CC2CCCO2)CC1.
What is the InChIKey of ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine?
The InChIKey is NDSMDYKJCZLVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-2-12-5-7-13(8-6-12)10-11-4-3-9-14-11;1-2/h11H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine?
ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 145468320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).