2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one

C15H29NO2 — CID 156829766

IUPAC2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
SMILESCCC(CC(C)O)C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-5-13(10-12(4)17)15(18)16-8-6-14(7-9-16)11(2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyXYANOQYMGMPIQX-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.68
Rot. Bonds5

About 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one

2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one (PubChem CID 156829766) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
PubChem CID156829766
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
SMILESCCC(CC(C)O)C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-5-13(10-12(4)17)15(18)16-8-6-14(7-9-16)11(2)3/h11-14,17H,5-10H2,1-4H3
InChIKeyXYANOQYMGMPIQX-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Hydroxymethyl)-1-methylpiperidin-2-one
CID 22030674
1-Cyclopentanecarbonylpiperidin-3-ol
CID 43415677
3-(N-Acetyl-4-piperidinyl)propanol
CID 21468229
N,N-Bis(2-ethylhexyl)-4-hydroxyhexanamide
CID 71406649
(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134905813
(2S,4S)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134975617
4-Hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79192411
4-Hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79205205
2-Propan-2-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 109899176
2,3-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 110021547
3-Methyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 112328981
4-Methyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 112329003

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one (CID 156829766) is 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one is CCC(CC(C)O)C(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is XYANOQYMGMPIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-13(10-12(4)17)15(18)16-8-6-14(7-9-16)11(2)3/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one?
2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 156829766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).