(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

C12H22N2O2 — CID 107220328

IUPAC(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCCC1(C(=O)N2CC(CO)C2)CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-12(3-5-13-6-4-12)11(16)14-7-10(8-14)9-15/h10,13,15H,2-9H2,1H3
InChIKeyDQWLKMHHFZSGGM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds3

About (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 107220328) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID107220328
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCCC1(C(=O)N2CC(CO)C2)CCNCC1
InChIInChI=1S/C12H22N2O2/c1-2-12(3-5-13-6-4-12)11(16)14-7-10(8-14)9-15/h10,13,15H,2-9H2,1H3
InChIKeyDQWLKMHHFZSGGM-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone
CID 103533229
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
(4-ethylpiperidin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217313
(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217135
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63127692
(2-ethylmorpholin-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 63128124
[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220452
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 63129026
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 107220328) is (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is CCC1(C(=O)N2CC(CO)C2)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is DQWLKMHHFZSGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-12(3-5-13-6-4-12)11(16)14-7-10(8-14)9-15/h10,13,15H,2-9H2,1H3.
What are the key properties of (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 107220328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).