1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine

C13H26N2 — CID 91321597

IUPAC1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine
SMILESCCC1CCN(CCCN2CCC2)CC1
InChIInChI=1S/C13H26N2/c1-2-13-5-11-15(12-6-13)10-4-9-14-7-3-8-14/h13H,2-12H2,1H3
InChIKeyGVEOSAWWAJSGPD-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine

1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine (PubChem CID 91321597) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine
PubChem CID91321597
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine
SMILESCCC1CCN(CCCN2CCC2)CC1
InChIInChI=1S/C13H26N2/c1-2-13-5-11-15(12-6-13)10-4-9-14-7-3-8-14/h13H,2-12H2,1H3
InChIKeyGVEOSAWWAJSGPD-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Propyl-4-methylpiperidine
CID 4100429
4-[3-(Fluoromethyl)azetidin-1-yl]-1-methylpiperidine
CID 121185012
4-(3-Ethyl-3-fluoroazetidin-1-yl)-1-propan-2-ylpiperidine
CID 155034659
4-[3-Fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine
CID 155034660
4-[3-Fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine
CID 155599537
2-(Fluoromethyl)-7-propyl-2,7-diazaspiro[3.5]nonane
CID 155740900
2,7-Diethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
CID 166496596
4-[(3-Ethylazetidin-1-yl)methyl]-4-fluoro-1-propan-2-ylpiperidine
CID 166536676
1-[2-(3-Fluoro-1-methylazetidin-3-yl)ethyl]-4-methylpiperidine
CID 166536782
1-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperidine
CID 166536816

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine?
The IUPAC name of 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine (CID 91321597) is 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine?
The canonical SMILES for 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine is CCC1CCN(CCCN2CCC2)CC1.
What is the InChIKey of 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine?
The InChIKey is GVEOSAWWAJSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-13-5-11-15(12-6-13)10-4-9-14-7-3-8-14/h13H,2-12H2,1H3.
What are the key properties of 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine?
1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)propyl]-4-ethylpiperidine is sourced from PubChem (CID 91321597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).