1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one

C14H27NO2 — CID 103578354

IUPAC1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
SMILESCC(O)C1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11(16)12-5-8-15(9-6-12)10-7-13(17)14(2,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyHEPIBVSWCMNFCM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds4

About 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one

1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one (PubChem CID 103578354) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
PubChem CID103578354
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
SMILESCC(O)C1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11(16)12-5-8-15(9-6-12)10-7-13(17)14(2,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyHEPIBVSWCMNFCM-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 62625465
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one
CID 62624932
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-one
CID 62624586
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 111114050
1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 118358850
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
CID 106837729
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one (CID 103578354) is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one is CC(O)C1CCN(CCC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
The InChIKey is HEPIBVSWCMNFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(16)12-5-8-15(9-6-12)10-7-13(17)14(2,3)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one has a molecular weight of 241.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 103578354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).