1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one

C14H27NO2 — CID 114501573

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H27NO2/c1-4-6-12(7-5-2)14(17)15-9-8-13(16)11(3)10-15/h11-13,16H,4-10H2,1-3H3
InChIKeyIQUCUASRTJOACZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.43
Rot. Bonds5

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one

1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one (PubChem CID 114501573) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
PubChem CID114501573
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H27NO2/c1-4-6-12(7-5-2)14(17)15-9-8-13(16)11(3)10-15/h11-13,16H,4-10H2,1-3H3
InChIKeyIQUCUASRTJOACZ-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-(3-aminopyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987887
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 114678426
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 114501575
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pent-4-en-1-one
CID 114678359
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 114501404

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one (CID 114501573) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one?
The InChIKey is IQUCUASRTJOACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-6-12(7-5-2)14(17)15-9-8-13(16)11(3)10-15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one?
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one is sourced from PubChem (CID 114501573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).