1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone

C11H20N2O2 — CID 107220425

IUPAC1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CC(CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-10-6-13(7-10)11(15)5-9-1-3-12-4-2-9/h9-10,12,14H,1-8H2
InChIKeyXFTIJCNZKONKQV-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds3

About 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone

1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 107220425) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
PubChem CID107220425
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CC(CO)C1
InChIInChI=1S/C11H20N2O2/c14-8-10-6-13(7-10)11(15)5-9-1-3-12-4-2-9/h9-10,12,14H,1-8H2
InChIKeyXFTIJCNZKONKQV-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63719518
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
N,N-dimethyl-2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetamide
CID 61028980
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone (CID 107220425) is 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1CC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is XFTIJCNZKONKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-8-10-6-13(7-10)11(15)5-9-1-3-12-4-2-9/h9-10,12,14H,1-8H2.
What are the key properties of 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone?
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 212.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 107220425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).