(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone

C13H24N2O2 — CID 63127692

IUPAC(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCCC1(C(=O)N2CCCC(O)C2)CCNCC1
InChIInChI=1S/C13H24N2O2/c1-2-13(5-7-14-8-6-13)12(17)15-9-3-4-11(16)10-15/h11,14,16H,2-10H2,1H3
InChIKeyNIKNRERCYZTYKV-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

About (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone

(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 63127692) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID63127692
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCCC1(C(=O)N2CCCC(O)C2)CCNCC1
InChIInChI=1S/C13H24N2O2/c1-2-13(5-7-14-8-6-13)12(17)15-9-3-4-11(16)10-15/h11,14,16H,2-10H2,1H3
InChIKeyNIKNRERCYZTYKV-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
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
(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224848
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 63129026
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(4-ethylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63128840
(4-ethylpiperidin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220328
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
(2-ethylmorpholin-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 63128124

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 63127692) is (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone is CCC1(C(=O)N2CCCC(O)C2)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is NIKNRERCYZTYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-13(5-7-14-8-6-13)12(17)15-9-3-4-11(16)10-15/h11,14,16H,2-10H2,1H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 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-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 63127692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).