1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one

C18H27NO2 — CID 114501404

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(O)C(C)C1)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-4-13(2)17(15-8-6-5-7-9-15)18(21)19-11-10-16(20)14(3)12-19/h5-9,13-14,16-17,20H,4,10-12H2,1-3H3
InChIKeyODUANURQYOFFDF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.05
Rot. Bonds4

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

1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one (PubChem CID 114501404) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
PubChem CID114501404
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(O)C(C)C1)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-4-13(2)17(15-8-6-5-7-9-15)18(21)19-11-10-16(20)14(3)12-19/h5-9,13-14,16-17,20H,4,10-12H2,1-3H3
InChIKeyODUANURQYOFFDF-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromopyrrolidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 80677803
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 120819474
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
1-(1,4-diazepan-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 119414979
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919
6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175638
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 114501573
2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680455

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one (CID 114501404) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one is CCC(C)C(C(=O)N1CCC(O)C(C)C1)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one?
The InChIKey is ODUANURQYOFFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-13(2)17(15-8-6-5-7-9-15)18(21)19-11-10-16(20)14(3)12-19/h5-9,13-14,16-17,20H,4,10-12H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one?
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.05, 4 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)-3-methyl-2-phenylpentan-1-one is sourced from PubChem (CID 114501404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).