(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

C13H24N2O2 — CID 119789063

IUPAC(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCCC1(C)CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H24N2O2/c1-3-13(2)5-4-6-15(9-13)12(17)11-7-10(16)8-14-11/h10-11,14,16H,3-9H2,1-2H3
InChIKeyVVWZNCAGRDUDRX-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

About (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 119789063) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID119789063
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCCC1(C)CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H24N2O2/c1-3-13(2)5-4-6-15(9-13)12(17)11-7-10(16)8-14-11/h10-11,14,16H,3-9H2,1-2H3
InChIKeyVVWZNCAGRDUDRX-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-hydroxypyrrolidin-2-yl)-(3-methyl-3-propylpiperidin-1-yl)methanone
CID 119791971
2-azaspiro[5.5]undecan-2-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 124703429
2-azaspiro[5.5]undecan-2-yl-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 124701635
(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119781993
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
(3-hydroxy-3-methylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219224
2-azaspiro[4.5]decan-2-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119805335
1-(4-hydroxypyrrolidine-2-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318132
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
(3-hydroxy-3-propylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219771
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
4-hydroxy-N-[(1-methylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 103812334

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (CID 119789063) is (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is CCC1(C)CCCN(C(=O)C2CC(O)CN2)C1.
What is the InChIKey of (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is VVWZNCAGRDUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-13(2)5-4-6-15(9-13)12(17)11-7-10(16)8-14-11/h10-11,14,16H,3-9H2,1-2H3.
What are the key properties of (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-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 (3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 119789063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).