1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine

C12H24N2 — CID 130815946

IUPAC1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine
SMILESCCC1CCC(C)N(CC2CCN2)C1
InChIInChI=1S/C12H24N2/c1-3-11-5-4-10(2)14(8-11)9-12-6-7-13-12/h10-13H,3-9H2,1-2H3
InChIKeyQXWNNXXYCCCBGK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

About 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine

1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine (PubChem CID 130815946) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine
PubChem CID130815946
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine
SMILESCCC1CCC(C)N(CC2CCN2)C1
InChIInChI=1S/C12H24N2/c1-3-11-5-4-10(2)14(8-11)9-12-6-7-13-12/h10-13H,3-9H2,1-2H3
InChIKeyQXWNNXXYCCCBGK-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylpiperidin-2-yl)methyl]-2,5-dimethylpiperidine
CID 114431246
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 112734466
2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 112734559
(3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol
CID 164644053
5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrrolidin-2-one
CID 107530511
6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
CID 104870094
3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole
CID 24839561
(2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine
CID 164659512
ethane;2-ethylazetidine
CID 90717086
1-(cyclopentylmethyl)-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870248
(2R)-1-(aminodiazenyl)-3-(5-ethyl-2-methylpiperidin-1-yl)propan-2-ol
CID 143050182
3-butan-2-yl-1-(cyclopentylmethyl)-7-methyl-1,4-diazepane
CID 64871545

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine?
The IUPAC name of 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine (CID 130815946) is 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine.
What is the SMILES notation for 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine?
The canonical SMILES for 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine is CCC1CCC(C)N(CC2CCN2)C1.
What is the InChIKey of 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine?
The InChIKey is QXWNNXXYCCCBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-11-5-4-10(2)14(8-11)9-12-6-7-13-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine?
1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine is sourced from PubChem (CID 130815946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).