ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol

C20H45N3O2 — CID 178029584

IUPACethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol
SMILESCC.CC.CCC1(O)CCNCC1.CCN1CCN(C2COC2)CC1
InChIInChI=1S/C9H18N2O.C7H15NO.2C2H6/c1-2-10-3-5-11(6-4-10)9-7-12-8-9;1-2-7(9)3-5-8-6-4-7;2*1-2/h9H,2-8H2,1H3;8-9H,2-6H2,1H3;2*1-2H3
InChIKeyQKKRMLMDTGYXBB-UHFFFAOYSA-N
MW359.60 g/mol
LogP2.59
Rot. Bonds3

About ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol

ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol (PubChem CID 178029584) has the molecular formula C20H45N3O2 and a molecular weight of 359.60 g/mol. Its IUPAC name is ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol.

Molecular Properties

Compound Nameethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol
PubChem CID178029584
Molecular FormulaC20H45N3O2
Molecular Weight359.60 g/mol
Exact Mass359.35
IUPAC Nameethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol
SMILESCC.CC.CCC1(O)CCNCC1.CCN1CCN(C2COC2)CC1
InChIInChI=1S/C9H18N2O.C7H15NO.2C2H6/c1-2-10-3-5-11(6-4-10)9-7-12-8-9;1-2-7(9)3-5-8-6-4-7;2*1-2/h9H,2-8H2,1H3;8-9H,2-6H2,1H3;2*1-2H3
InChIKeyQKKRMLMDTGYXBB-UHFFFAOYSA-N
XLogP2.59
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane
CID 178029460
ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641602
9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641603
1-(oxetan-3-yl)-4-propylpiperidin-4-ol
CID 145006365
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
ethane;1-(oxetan-3-yl)-4-propylpiperidine
CID 144662660
7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
CID 59534690
1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122830
2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934958
4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 83618604
ethane;1-(oxetan-3-yl)piperidine
CID 170574433

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol?
The IUPAC name of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol (CID 178029584) is ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol.
What is the SMILES notation for ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol?
The canonical SMILES for ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol is CC.CC.CCC1(O)CCNCC1.CCN1CCN(C2COC2)CC1.
What is the InChIKey of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol?
The InChIKey is QKKRMLMDTGYXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C7H15NO.2C2H6/c1-2-10-3-5-11(6-4-10)9-7-12-8-9;1-2-7(9)3-5-8-6-4-7;2*1-2/h9H,2-8H2,1H3;8-9H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol?
ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol has a molecular weight of 359.60 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidin-4-ol is sourced from PubChem (CID 178029584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).