(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol

C14H22N2O — CID 105494977

IUPAC(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol
SMILESCc1ccc(C(O)C2CCN(C)CC2)c(N)c1
InChIInChI=1S/C14H22N2O/c1-10-3-4-12(13(15)9-10)14(17)11-5-7-16(2)8-6-11/h3-4,9,11,14,17H,5-8,15H2,1-2H3
InChIKeyVXULIZBMFHINEZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds2

About (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol

(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol (PubChem CID 105494977) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol
PubChem CID105494977
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol
SMILESCc1ccc(C(O)C2CCN(C)CC2)c(N)c1
InChIInChI=1S/C14H22N2O/c1-10-3-4-12(13(15)9-10)14(17)11-5-7-16(2)8-6-11/h3-4,9,11,14,17H,5-8,15H2,1-2H3
InChIKeyVXULIZBMFHINEZ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol (CID 105494977) is (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol is Cc1ccc(C(O)C2CCN(C)CC2)c(N)c1.
What is the InChIKey of (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol?
The InChIKey is VXULIZBMFHINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-3-4-12(13(15)9-10)14(17)11-5-7-16(2)8-6-11/h3-4,9,11,14,17H,5-8,15H2,1-2H3.
What are the key properties of (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol?
(2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol has a molecular weight of 234.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylphenyl)-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 105494977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).