(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine

C16H26N2O — CID 116935748

IUPAC(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCCCN2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-10-9-14(19-4)11(2)12(3)15(10)16(17)13-7-5-6-8-18-13/h9,13,16,18H,5-8,17H2,1-4H3
InChIKeyHZPIVQNQOBOMOS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.76
Rot. Bonds3

About (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine

(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine (PubChem CID 116935748) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine.

Molecular Properties

Compound Name(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine
PubChem CID116935748
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCCCN2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-10-9-14(19-4)11(2)12(3)15(10)16(17)13-7-5-6-8-18-13/h9,13,16,18H,5-8,17H2,1-4H3
InChIKeyHZPIVQNQOBOMOS-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
CID 82299044
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82283349
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
CID 64866585
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde
CID 116939106
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine?
The IUPAC name of (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine (CID 116935748) is (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine.
What is the SMILES notation for (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine?
The canonical SMILES for (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine is COc1cc(C)c(C(N)C2CCCCN2)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine?
The InChIKey is HZPIVQNQOBOMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-9-14(19-4)11(2)12(3)15(10)16(17)13-7-5-6-8-18-13/h9,13,16,18H,5-8,17H2,1-4H3.
What are the key properties of (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine?
(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine is sourced from PubChem (CID 116935748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).