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

C16H26N2O — CID 116935922

IUPAC(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
SMILESCOc1c(C)c(C)cc(C)c1C(N)C1CCNCC1
InChIInChI=1S/C16H26N2O/c1-10-9-11(2)14(16(19-4)12(10)3)15(17)13-5-7-18-8-6-13/h9,13,15,18H,5-8,17H2,1-4H3
InChIKeyVRMHGYBHHMWNLM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.62
Rot. Bonds3

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

(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine (PubChem CID 116935922) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
PubChem CID116935922
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
SMILESCOc1c(C)c(C)cc(C)c1C(N)C1CCNCC1
InChIInChI=1S/C16H26N2O/c1-10-9-11(2)14(16(19-4)12(10)3)15(17)13-5-7-18-8-6-13/h9,13,15,18H,5-8,17H2,1-4H3
InChIKeyVRMHGYBHHMWNLM-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935549
2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
CID 171314427
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 116951362
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine (CID 116935922) is (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine is COc1c(C)c(C)cc(C)c1C(N)C1CCNCC1.
What is the InChIKey of (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine?
The InChIKey is VRMHGYBHHMWNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-9-11(2)14(16(19-4)12(10)3)15(17)13-5-7-18-8-6-13/h9,13,15,18H,5-8,17H2,1-4H3.
What are the key properties of (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine?
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 116935922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).