1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone

C14H25NO2 — CID 111430230

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1CC(C)CN(C(=O)CC2(O)CCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11-7-12(2)10-15(9-11)13(16)8-14(17)5-3-4-6-14/h11-12,17H,3-10H2,1-2H3
InChIKeyBIQKTQYHTWEBSN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 111430230) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
PubChem CID111430230
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1CC(C)CN(C(=O)CC2(O)CCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11-7-12(2)10-15(9-11)13(16)8-14(17)5-3-4-6-14/h11-12,17H,3-10H2,1-2H3
InChIKeyBIQKTQYHTWEBSN-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.19
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 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone (CID 111430230) is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone is CC1CC(C)CN(C(=O)CC2(O)CCCC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is BIQKTQYHTWEBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-7-12(2)10-15(9-11)13(16)8-14(17)5-3-4-6-14/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 111430230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).