1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one

C18H33NO3 — CID 59563428

IUPAC1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCCCC2=O)C1
InChIInChI=1S/C18H33NO3/c1-13(2)16-8-7-14(3)10-17(16)22-12-15(20)11-19-9-5-4-6-18(19)21/h13-17,20H,4-12H2,1-3H3
InChIKeyICJKRDKQUDLCPF-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one

1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one (PubChem CID 59563428) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one
PubChem CID59563428
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one
SMILESCC1CCC(C(C)C)C(OCC(O)CN2CCCCC2=O)C1
InChIInChI=1S/C18H33NO3/c1-13(2)16-8-7-14(3)10-17(16)22-12-15(20)11-19-9-5-4-6-18(19)21/h13-17,20H,4-12H2,1-3H3
InChIKeyICJKRDKQUDLCPF-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one;2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]oxirane;piperidin-2-one
CID 159377877
(2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 11869272
1-(4-ethylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol dichloride
CID 21237566
(2R)-1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
CID 7058398
(2S)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 124721500
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 7386899
(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
CID 22044534
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 3665847
diethyl-[(2S)-2-hydroxy-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]-methylazanium
CID 124768566
2-[2-[4-[(2S)-2-hydroxy-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 124754316
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 92763848
(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 40592126

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one (CID 59563428) is 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one is CC1CCC(C(C)C)C(OCC(O)CN2CCCCC2=O)C1.
What is the InChIKey of 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one?
The InChIKey is ICJKRDKQUDLCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-13(2)16-8-7-14(3)10-17(16)22-12-15(20)11-19-9-5-4-6-18(19)21/h13-17,20H,4-12H2,1-3H3.
What are the key properties of 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one?
1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one has a molecular weight of 311.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperidin-2-one is sourced from PubChem (CID 59563428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).