[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol

C14H22N2O — CID 117012529

IUPAC[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
SMILESCc1cccc(C)c1N1CCCC(N)(CO)C1
InChIInChI=1S/C14H22N2O/c1-11-5-3-6-12(2)13(11)16-8-4-7-14(15,9-16)10-17/h3,5-6,17H,4,7-10,15H2,1-2H3
InChIKeyLYNCGNHBTGDDJA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.59
Rot. Bonds2

About [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol

[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol (PubChem CID 117012529) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
PubChem CID117012529
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
SMILESCc1cccc(C)c1N1CCCC(N)(CO)C1
InChIInChI=1S/C14H22N2O/c1-11-5-3-6-12(2)13(11)16-8-4-7-14(15,9-16)10-17/h3,5-6,17H,4,7-10,15H2,1-2H3
InChIKeyLYNCGNHBTGDDJA-UHFFFAOYSA-N
XLogP1.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
CID 117011842
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
[3-amino-1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol
CID 166258043
[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012396
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
[3-amino-1-(2-propan-2-yloxyphenyl)piperidin-3-yl]methanol
CID 117012551
3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine
CID 115033528
[4-amino-1-(4-methylphenyl)azepan-4-yl]methanol
CID 115040445
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024942
2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
CID 115025843

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol (CID 117012529) is [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol is Cc1cccc(C)c1N1CCCC(N)(CO)C1.
What is the InChIKey of [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol?
The InChIKey is LYNCGNHBTGDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-3-6-12(2)13(11)16-8-4-7-14(15,9-16)10-17/h3,5-6,17H,4,7-10,15H2,1-2H3.
What are the key properties of [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol?
[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 117012529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).