ethane;1-(oxetan-3-yl)piperidine

C12H27NO — CID 170574433

IUPACethane;1-(oxetan-3-yl)piperidine
SMILESC1CCN(C2COC2)CC1.CC.CC
InChIInChI=1S/C8H15NO.2C2H6/c1-2-4-9(5-3-1)8-6-10-7-8;2*1-2/h8H,1-7H2;2*1-2H3
InChIKeyPZQPOZPEYRBNRR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.92
Rot. Bonds1

About ethane;1-(oxetan-3-yl)piperidine

ethane;1-(oxetan-3-yl)piperidine (PubChem CID 170574433) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Nameethane;1-(oxetan-3-yl)piperidine
PubChem CID170574433
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;1-(oxetan-3-yl)piperidine
SMILESC1CCN(C2COC2)CC1.CC.CC
InChIInChI=1S/C8H15NO.2C2H6/c1-2-4-9(5-3-1)8-6-10-7-8;2*1-2/h8H,1-7H2;2*1-2H3
InChIKeyPZQPOZPEYRBNRR-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-(oxetan-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1-(oxiran-2-yl)piperidine
CID 19935661
4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
1,1-dimethyl-4-(oxetan-3-yl)piperazin-1-ium
CID 123791277
ethane;3-methyl-1-(oxetan-3-yl)azetidine
CID 144739984
ethane;1-(oxetan-3-yl)-4-propylpiperidine
CID 144662660
1-cyclopropylpiperidine
CID 10909573
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide;ethane
CID 153404856
ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine
CID 163257599
1-cyclohexylazocane
CID 23151203

Frequently Asked Questions

What is the IUPAC name of ethane;1-(oxetan-3-yl)piperidine?
The IUPAC name of ethane;1-(oxetan-3-yl)piperidine (CID 170574433) is ethane;1-(oxetan-3-yl)piperidine.
What is the SMILES notation for ethane;1-(oxetan-3-yl)piperidine?
The canonical SMILES for ethane;1-(oxetan-3-yl)piperidine is C1CCN(C2COC2)CC1.CC.CC.
What is the InChIKey of ethane;1-(oxetan-3-yl)piperidine?
The InChIKey is PZQPOZPEYRBNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2C2H6/c1-2-4-9(5-3-1)8-6-10-7-8;2*1-2/h8H,1-7H2;2*1-2H3.
What are the key properties of ethane;1-(oxetan-3-yl)piperidine?
ethane;1-(oxetan-3-yl)piperidine has a molecular weight of 201.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 170574433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).