(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone

C14H19NO2 — CID 115875217

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(C)(O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)13(16)15-9-3-8-14(2,17)10-15/h4-7,17H,3,8-10H2,1-2H3
InChIKeyLDAOXTGPHRCPGY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds1

About (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone

(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone (PubChem CID 115875217) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
PubChem CID115875217
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(C)(O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)13(16)15-9-3-8-14(2,17)10-15/h4-7,17H,3,8-10H2,1-2H3
InChIKeyLDAOXTGPHRCPGY-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 115874457
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 115874915
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875036
(3-hydroxy-3-methylpiperidin-1-yl)-[4-[3-(1,2,4-triazol-4-yl)phenyl]phenyl]methanone
CID 122567025
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone (CID 115875217) is (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(C)(O)C2)cc1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is LDAOXTGPHRCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)13(16)15-9-3-8-14(2,17)10-15/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone?
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 115875217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).