4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol

C15H24N2O — CID 63325311

IUPAC4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCNCC1CCCCN1Cc1cc(C)ccc1O
InChIInChI=1S/C15H24N2O/c1-12-6-7-15(18)13(9-12)11-17-8-4-3-5-14(17)10-16-2/h6-7,9,14,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyKRCIAIXLKONMFV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds4

About 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol

4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol (PubChem CID 63325311) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol
PubChem CID63325311
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCNCC1CCCCN1Cc1cc(C)ccc1O
InChIInChI=1S/C15H24N2O/c1-12-6-7-15(18)13(9-12)11-17-8-4-3-5-14(17)10-16-2/h6-7,9,14,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyKRCIAIXLKONMFV-UHFFFAOYSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928465
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249454
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 81318609
[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472
1-[1-[(2-ethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285206
2-[2-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115463132
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62579495
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580232
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol (CID 63325311) is 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol is CNCC1CCCCN1Cc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is KRCIAIXLKONMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-7-15(18)13(9-12)11-17-8-4-3-5-14(17)10-16-2/h6-7,9,14,16,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol?
4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 63325311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).