ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane

C23H53N3O — CID 178029460

IUPACethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane
SMILESCC.CC.CCC.CCC1CCNCC1.CCN1CCN(C2COC2)CC1
InChIInChI=1S/C9H18N2O.C7H15N.C3H8.2C2H6/c1-2-10-3-5-11(6-4-10)9-7-12-8-9;1-2-7-3-5-8-6-4-7;1-3-2;2*1-2/h9H,2-8H2,1H3;7-8H,2-6H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyAUGCOHSTAGJMRD-UHFFFAOYSA-N
MW387.70 g/mol
LogP4.89
Rot. Bonds3

About ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane

ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane (PubChem CID 178029460) has the molecular formula C23H53N3O and a molecular weight of 387.70 g/mol. Its IUPAC name is ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane.

Molecular Properties

Compound Nameethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane
PubChem CID178029460
Molecular FormulaC23H53N3O
Molecular Weight387.70 g/mol
Exact Mass387.42
IUPAC Nameethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane
SMILESCC.CC.CCC.CCC1CCNCC1.CCN1CCN(C2COC2)CC1
InChIInChI=1S/C9H18N2O.C7H15N.C3H8.2C2H6/c1-2-10-3-5-11(6-4-10)9-7-12-8-9;1-2-7-3-5-8-6-4-7;1-3-2;2*1-2/h9H,2-8H2,1H3;7-8H,2-6H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyAUGCOHSTAGJMRD-UHFFFAOYSA-N
XLogP4.89
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane?
The IUPAC name of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane (CID 178029460) is ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane.
What is the SMILES notation for ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane?
The canonical SMILES for ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane is CC.CC.CCC.CCC1CCNCC1.CCN1CCN(C2COC2)CC1.
What is the InChIKey of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane?
The InChIKey is AUGCOHSTAGJMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C7H15N.C3H8.2C2H6/c1-2-10-3-5-11(6-4-10)9-7-12-8-9;1-2-7-3-5-8-6-4-7;1-3-2;2*1-2/h9H,2-8H2,1H3;7-8H,2-6H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane?
ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane has a molecular weight of 387.70 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane is sourced from PubChem (CID 178029460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).