1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol

C14H22N2O — CID 106835317

IUPAC1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol
SMILESCc1cccc(N)c1N1CCC(C(C)O)CC1
InChIInChI=1S/C14H22N2O/c1-10-4-3-5-13(15)14(10)16-8-6-12(7-9-16)11(2)17/h3-5,11-12,17H,6-9,15H2,1-2H3
InChIKeyVNFLQWVCNUBSET-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds2

About 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol

1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol (PubChem CID 106835317) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol
PubChem CID106835317
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol
SMILESCc1cccc(N)c1N1CCC(C(C)O)CC1
InChIInChI=1S/C14H22N2O/c1-10-4-3-5-13(15)14(10)16-8-6-12(7-9-16)11(2)17/h3-5,11-12,17H,6-9,15H2,1-2H3
InChIKeyVNFLQWVCNUBSET-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835108
2-(azocan-1-yl)-3-methylaniline
CID 115549922
1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
CID 114677744
3-methyl-2-piperazin-1-ylaniline
CID 23079646
2-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylaniline
CID 115549903
1-[1-(2-methyl-6-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627908
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylaniline
CID 115550711
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylaniline
CID 115550494
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol (CID 106835317) is 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol is Cc1cccc(N)c1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol?
The InChIKey is VNFLQWVCNUBSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-3-5-13(15)14(10)16-8-6-12(7-9-16)11(2)17/h3-5,11-12,17H,6-9,15H2,1-2H3.
What are the key properties of 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol?
1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106835317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).