ethane;1-(oxetan-3-yl)-4-propylpiperidine

C13H27NO — CID 144662660

IUPACethane;1-(oxetan-3-yl)-4-propylpiperidine
SMILESCC.CCCC1CCN(C2COC2)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-2-3-10-4-6-12(7-5-10)11-8-13-9-11;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyKQZBHSSMTQNUGX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds3

About ethane;1-(oxetan-3-yl)-4-propylpiperidine

ethane;1-(oxetan-3-yl)-4-propylpiperidine (PubChem CID 144662660) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;1-(oxetan-3-yl)-4-propylpiperidine.

Molecular Properties

Compound Nameethane;1-(oxetan-3-yl)-4-propylpiperidine
PubChem CID144662660
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;1-(oxetan-3-yl)-4-propylpiperidine
SMILESCC.CCCC1CCN(C2COC2)CC1
InChIInChI=1S/C11H21NO.C2H6/c1-2-3-10-4-6-12(7-5-10)11-8-13-9-11;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyKQZBHSSMTQNUGX-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-4-yl-4-propylpiperidine
CID 62199816
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
N-ethyl-4-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 114763207
ethane;1-(oxetan-3-yl)piperidine
CID 170574433
3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062636
1-(5-methylpiperidin-3-yl)-4-propylpiperidine
CID 115373476
[1-(4-propylcycloheptyl)piperidin-4-yl]methanamine
CID 65088785
ethane;propane;propylcyclopropane
CID 145406182
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
1-[1-(4-propylcyclohexyl)piperidin-4-yl]ethanamine
CID 63595644
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666

Frequently Asked Questions

What is the IUPAC name of ethane;1-(oxetan-3-yl)-4-propylpiperidine?
The IUPAC name of ethane;1-(oxetan-3-yl)-4-propylpiperidine (CID 144662660) is ethane;1-(oxetan-3-yl)-4-propylpiperidine.
What is the SMILES notation for ethane;1-(oxetan-3-yl)-4-propylpiperidine?
The canonical SMILES for ethane;1-(oxetan-3-yl)-4-propylpiperidine is CC.CCCC1CCN(C2COC2)CC1.
What is the InChIKey of ethane;1-(oxetan-3-yl)-4-propylpiperidine?
The InChIKey is KQZBHSSMTQNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-2-3-10-4-6-12(7-5-10)11-8-13-9-11;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-(oxetan-3-yl)-4-propylpiperidine?
ethane;1-(oxetan-3-yl)-4-propylpiperidine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 3 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)-4-propylpiperidine is sourced from PubChem (CID 144662660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).