(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine

C15H24N2O — CID 82296681

IUPAC(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
SMILESCOc1cc(C)c(C)cc1C(N)C1CCNCC1
InChIInChI=1S/C15H24N2O/c1-10-8-13(14(18-3)9-11(10)2)15(16)12-4-6-17-7-5-12/h8-9,12,15,17H,4-7,16H2,1-3H3
InChIKeyGKPSEVULNBHACJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds3

About (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine

(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine (PubChem CID 82296681) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
PubChem CID82296681
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
SMILESCOc1cc(C)c(C)cc1C(N)C1CCNCC1
InChIInChI=1S/C15H24N2O/c1-10-8-13(14(18-3)9-11(10)2)15(16)12-4-6-17-7-5-12/h8-9,12,15,17H,4-7,16H2,1-3H3
InChIKeyGKPSEVULNBHACJ-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936466
(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314755
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
CID 116935922
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine (CID 82296681) is (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine is COc1cc(C)c(C)cc1C(N)C1CCNCC1.
What is the InChIKey of (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine?
The InChIKey is GKPSEVULNBHACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-13(14(18-3)9-11(10)2)15(16)12-4-6-17-7-5-12/h8-9,12,15,17H,4-7,16H2,1-3H3.
What are the key properties of (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine?
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 82296681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).