3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine

C12H24N2 — CID 79678119

IUPAC3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine
SMILESCCC1CN(C(C)C2CCCNC2)C1
InChIInChI=1S/C12H24N2/c1-3-11-8-14(9-11)10(2)12-5-4-6-13-7-12/h10-13H,3-9H2,1-2H3
InChIKeyDKEQYRWKKLROSL-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds3

About 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine

3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine (PubChem CID 79678119) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine
PubChem CID79678119
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine
SMILESCCC1CN(C(C)C2CCCNC2)C1
InChIInChI=1S/C12H24N2/c1-3-11-8-14(9-11)10(2)12-5-4-6-13-7-12/h10-13H,3-9H2,1-2H3
InChIKeyDKEQYRWKKLROSL-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-[(1S)-1-fluoroethyl]piperidine
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4-(1-piperazin-1-ylethyl)azepane
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N-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
4-(1-piperidin-3-ylethyl)thiomorpholine-3,5-dione
CID 104570979
(3R)-1-[(1R)-1-[(3S)-pyrrolidin-3-yl]ethyl]pyrrolidin-3-ol
CID 129415903
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058
3-(2-cyclobutylpropyl)piperidine
CID 130987572
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine?
The IUPAC name of 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine (CID 79678119) is 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine is CCC1CN(C(C)C2CCCNC2)C1.
What is the InChIKey of 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine?
The InChIKey is DKEQYRWKKLROSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-11-8-14(9-11)10(2)12-5-4-6-13-7-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine?
3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethylazetidin-1-yl)ethyl]piperidine is sourced from PubChem (CID 79678119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).