(4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C15H26N2O2 — CID 63769802

IUPAC(4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCC1(C(=O)N2C3CCC2CC(O)C3)CCNCC1
InChIInChI=1S/C15H26N2O2/c1-2-15(5-7-16-8-6-15)14(19)17-11-3-4-12(17)10-13(18)9-11/h11-13,16,18H,2-10H2,1H3
InChIKeyLYLAAUDBFBCKAM-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.28
Rot. Bonds2

About (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63769802) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63769802
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCC1(C(=O)N2C3CCC2CC(O)C3)CCNCC1
InChIInChI=1S/C15H26N2O2/c1-2-15(5-7-16-8-6-15)14(19)17-11-3-4-12(17)10-13(18)9-11/h11-13,16,18H,2-10H2,1H3
InChIKeyLYLAAUDBFBCKAM-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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)-(3-hydroxypiperidin-1-yl)methanone
CID 63127692
2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 63142542
(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone
CID 103533229
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(1-methylcyclopentyl)methanone
CID 78993922
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220328
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone
CID 104967374
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
methyl 1-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)cyclopropane-1-carboxylate
CID 136532014

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63769802) is (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CCC1(C(=O)N2C3CCC2CC(O)C3)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is LYLAAUDBFBCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-15(5-7-16-8-6-15)14(19)17-11-3-4-12(17)10-13(18)9-11/h11-13,16,18H,2-10H2,1H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-ethylpiperidin-4-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.28, 2 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-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63769802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).