[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone

C19H29NO2 — CID 166782014

IUPAC[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)CC1CC(O)CN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H29NO2/c1-13(2)9-15-10-18(21)12-20(11-15)19(22)17-7-5-16(6-8-17)14(3)4/h5-8,13-15,18,21H,9-12H2,1-4H3
InChIKeyODBLIOZDEFOCHV-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.68
Rot. Bonds4

About [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone

[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 166782014) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID166782014
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)CC1CC(O)CN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H29NO2/c1-13(2)9-15-10-18(21)12-20(11-15)19(22)17-7-5-16(6-8-17)14(3)4/h5-8,13-15,18,21H,9-12H2,1-4H3
InChIKeyODBLIOZDEFOCHV-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 118770730
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 176873225
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone
CID 139362783
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone
CID 123420430

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 166782014) is [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)CC1CC(O)CN(C(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is ODBLIOZDEFOCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13(2)9-15-10-18(21)12-20(11-15)19(22)17-7-5-16(6-8-17)14(3)4/h5-8,13-15,18,21H,9-12H2,1-4H3.
What are the key properties of [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 303.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 166782014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).