1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol

C15H24N2O — CID 82296595

IUPAC1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C15H24N2O/c1-12-5-4-6-13(2)14(12)17-9-7-15(18,8-10-17)11-16-3/h4-6,16,18H,7-11H2,1-3H3
InChIKeyJYTVJPGHBKMNFQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.85
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol

1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 82296595) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol
PubChem CID82296595
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C15H24N2O/c1-12-5-4-6-13(2)14(12)17-9-7-15(18,8-10-17)11-16-3/h4-6,16,18H,7-11H2,1-3H3
InChIKeyJYTVJPGHBKMNFQ-UHFFFAOYSA-N
XLogP1.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol
CID 82303443
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751
1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
CID 39355997
[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012396
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanenitrile
CID 22397534
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
CID 175660744
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
CID 117011778

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol (CID 82296595) is 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol is CNCC1(O)CCN(c2c(C)cccc2C)CC1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is JYTVJPGHBKMNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-4-6-13(2)14(12)17-9-7-15(18,8-10-17)11-16-3/h4-6,16,18H,7-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol?
1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 248.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 82296595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).