1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

C15H28N2O2 — CID 111543736

IUPAC1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C15H28N2O2/c1-3-14-6-4-5-8-17(14)15(19)12(2)16-9-7-13(10-16)11-18/h12-14,18H,3-11H2,1-2H3
InChIKeyWNYPHTUHYSAOFT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 111543736) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID111543736
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C15H28N2O2/c1-3-14-6-4-5-8-17(14)15(19)12(2)16-9-7-13(10-16)11-18/h12-14,18H,3-11H2,1-2H3
InChIKeyWNYPHTUHYSAOFT-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
1-(2-ethylpiperidin-1-yl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55865666
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one
CID 95978670
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 134062684

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (CID 111543736) is 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is CCC1CCCCN1C(=O)C(C)N1CCC(CO)C1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is WNYPHTUHYSAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-14-6-4-5-8-17(14)15(19)12(2)16-9-7-13(10-16)11-18/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 111543736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).