2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone

C13H23NO2 — CID 111430171

IUPAC2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2(O)CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-11-4-8-14(9-5-11)12(15)10-13(16)6-2-3-7-13/h11,16H,2-10H2,1H3
InChIKeyGVIXJJNAPRNPHK-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds2

About 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 111430171) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID111430171
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2(O)CCCC2)CC1
InChIInChI=1S/C13H23NO2/c1-11-4-8-14(9-5-11)12(15)10-13(16)6-2-3-7-13/h11,16H,2-10H2,1H3
InChIKeyGVIXJJNAPRNPHK-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Hydroxycyclohexyl)-1-piperidin-1-ylethanone
CID 71931224
(3R)-3-hydroxy-3-methyl-1-morpholin-4-ylheptan-1-one
CID 164675708
3-Hydroxy-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propylhexan-1-one
CID 109884175
2-(1-Hydroxycyclopentyl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109884237
3-Cyclopentyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 109884305
2-(1-Hydroxycyclopentyl)-1-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 109894438
1-[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 109915368
N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111430819
3,3,3-Trifluoro-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]propan-1-one
CID 111432557
2-(1-hydroxycyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111537220
2-(1-hydroxycyclopentyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 111537250
2-(1-Hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone
CID 111538741

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 111430171) is 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CC2(O)CCCC2)CC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is GVIXJJNAPRNPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11-4-8-14(9-5-11)12(15)10-13(16)6-2-3-7-13/h11,16H,2-10H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 111430171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).