[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone

C16H23NO3 — CID 111113275

IUPAC[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESCC(C)(O)CN1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-16(2,20)11-17-9-7-13(8-10-17)15(19)12-3-5-14(18)6-4-12/h3-6,13,18,20H,7-11H2,1-2H3
InChIKeyFOEKAPBMVUZPDY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.06
Rot. Bonds4

About [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone

[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone (PubChem CID 111113275) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
PubChem CID111113275
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
SMILESCC(C)(O)CN1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H23NO3/c1-16(2,20)11-17-9-7-13(8-10-17)15(19)12-3-5-14(18)6-4-12/h3-6,13,18,20H,7-11H2,1-2H3
InChIKeyFOEKAPBMVUZPDY-UHFFFAOYSA-N
XLogP2.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone
CID 123142194
(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 86827290
azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
CID 110932465
2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
CID 58228571
4-(4-hydroxybenzoyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 86999128
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
N-(5-chloro-2-hydroxyphenyl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxamide
CID 111113313
2-(4-chlorophenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 24615476
2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 87015842
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone (CID 111113275) is [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone is CC(C)(O)CN1CCC(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is FOEKAPBMVUZPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,20)11-17-9-7-13(8-10-17)15(19)12-3-5-14(18)6-4-12/h3-6,13,18,20H,7-11H2,1-2H3.
What are the key properties of [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone?
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 111113275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).