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

C16H26N2O — CID 63250598

IUPAC4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
SMILESCNCC1CCN(C(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-12-4-5-16(19)15(10-12)13(2)18-8-6-14(7-9-18)11-17-3/h4-5,10,13-14,17,19H,6-9,11H2,1-3H3
InChIKeyTUSIXVKZJAGWHG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds4

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

4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol (PubChem CID 63250598) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
PubChem CID63250598
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
SMILESCNCC1CCN(C(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-12-4-5-16(19)15(10-12)13(2)18-8-6-14(7-9-18)11-17-3/h4-5,10,13-14,17,19H,6-9,11H2,1-3H3
InChIKeyTUSIXVKZJAGWHG-UHFFFAOYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
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

2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,4-diol
CID 63263654
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153
4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
CID 115304157
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
CID 82979180
4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
N-(cyclopropylmethyl)-1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 81494910
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol
CID 43130831
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,3-diol
CID 107711411
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
4-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]phenol
CID 82979374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol (CID 63250598) is 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol is CNCC1CCN(C(C)c2cc(C)ccc2O)CC1.
What is the InChIKey of 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol?
The InChIKey is TUSIXVKZJAGWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-4-5-16(19)15(10-12)13(2)18-8-6-14(7-9-18)11-17-3/h4-5,10,13-14,17,19H,6-9,11H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol?
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol is sourced from PubChem (CID 63250598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).