1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide

C17H27N2O2+ — CID 7334866

IUPAC1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
SMILESCC(C)CNC(=O)C1CC[NH+](Cc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)11-18-17(21)14-7-9-19(10-8-14)12-15-5-3-4-6-16(15)20/h3-6,13-14,20H,7-12H2,1-2H3,(H,18,21)/p+1
InChIKeyAYMZDIFTCINUMI-UHFFFAOYSA-O
MW291.42 g/mol
LogP0.96
Rot. Bonds5

About 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide (PubChem CID 7334866) has the molecular formula C17H27N2O2+ and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
PubChem CID7334866
Molecular FormulaC17H27N2O2+
Molecular Weight291.42 g/mol
Exact Mass291.21
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
SMILESCC(C)CNC(=O)C1CC[NH+](Cc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)11-18-17(21)14-7-9-19(10-8-14)12-15-5-3-4-6-16(15)20/h3-6,13-14,20H,7-12H2,1-2H3,(H,18,21)/p+1
InChIKeyAYMZDIFTCINUMI-UHFFFAOYSA-O
XLogP0.96
TPSA53.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
CID 7334869
1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324136
1-[(2-hydroxyphenyl)methyl]-N-(2-phenylethyl)piperidin-1-ium-4-carboxamide
CID 7317441
diethyl-[2-[[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl]azanium
CID 7334839
1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide
CID 6944701
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone
CID 7297487
1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7334954
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6966365
N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide
CID 6944696

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide (CID 7334866) is 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide is CC(C)CNC(=O)C1CC[NH+](Cc2ccccc2O)CC1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
The InChIKey is AYMZDIFTCINUMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)11-18-17(21)14-7-9-19(10-8-14)12-15-5-3-4-6-16(15)20/h3-6,13-14,20H,7-12H2,1-2H3,(H,18,21)/p+1.
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7334866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).