3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one

C15H27NO2 — CID 150907819

IUPAC3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
SMILESCCC1CC(O)CCN1C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO2/c1-2-13-11-14(17)9-10-16(13)15(18)8-7-12-5-3-4-6-12/h12-14,17H,2-11H2,1H3
InChIKeyLBIWEIMUBNBVEB-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.72
Rot. Bonds4

About 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one

3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 150907819) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID150907819
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
SMILESCCC1CC(O)CCN1C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO2/c1-2-13-11-14(17)9-10-16(13)15(18)8-7-12-5-3-4-6-12/h12-14,17H,2-11H2,1H3
InChIKeyLBIWEIMUBNBVEB-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1(2H)-pyridinyl]methanone
CID 110197498
3-cyclopentyl-1-[(3R,4R)-4-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
CID 164630330
(4,4-Difluorocyclohexyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 81932648
3-Cyclopentyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329196
Cyclohexyl-(4-hydroxypiperidin-1-yl)methanone
CID 28345200
Cyclopentyl(4-hydroxypiperidin-1-yl)methanone
CID 39959573
N-cyclopropyl-2-(4-hydroxycyclohexyl)-N-propylacetamide
CID 58375878
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 58983339
2-Ethyl-1-(4-hydroxypiperidin-1-yl)octan-1-one
CID 68096803
(4-Ethylcyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 68197691
1-(4-Hydroxypiperidin-1-yl)-2-methylheptan-1-one
CID 68252938
(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one
CID 71104200

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one (CID 150907819) is 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one is CCC1CC(O)CCN1C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is LBIWEIMUBNBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-13-11-14(17)9-10-16(13)15(18)8-7-12-5-3-4-6-12/h12-14,17H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one?
3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 150907819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).