(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

C14H26N2O2 — CID 107220216

IUPAC(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCCC1CCNC(C(=O)N2CC(O)(C(C)C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-4-11-5-6-15-12(7-11)13(17)16-8-14(18,9-16)10(2)3/h10-12,15,18H,4-9H2,1-3H3
InChIKeyXHNFBUFPOWQILA-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.99
Rot. Bonds3

About (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone

(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (PubChem CID 107220216) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
PubChem CID107220216
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
SMILESCCC1CCNC(C(=O)N2CC(O)(C(C)C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-4-11-5-6-15-12(7-11)13(17)16-8-14(18,9-16)10(2)3/h10-12,15,18H,4-9H2,1-3H3
InChIKeyXHNFBUFPOWQILA-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-propan-2-ylazetidin-1-yl)-piperidin-2-ylmethanone
CID 107220195
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114428989
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
(4-ethylpiperidin-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 114429590
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-3-yl]acetamide
CID 114428489
(2,5-dimethylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114429194

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone (CID 107220216) is (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is CCC1CCNC(C(=O)N2CC(O)(C(C)C)C2)C1.
What is the InChIKey of (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
The InChIKey is XHNFBUFPOWQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-11-5-6-15-12(7-11)13(17)16-8-14(18,9-16)10(2)3/h10-12,15,18H,4-9H2,1-3H3.
What are the key properties of (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone?
(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone is sourced from PubChem (CID 107220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).