2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline

C14H22N2O2 — CID 117379596

IUPAC2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
SMILESCOc1cc(CC2CCNCC2)cc(OC)c1N
InChIInChI=1S/C14H22N2O2/c1-17-12-8-11(9-13(18-2)14(12)15)7-10-3-5-16-6-4-10/h8-10,16H,3-7,15H2,1-2H3
InChIKeyPIRGBNKEKRGQFU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds4

About 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline

2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline (PubChem CID 117379596) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
PubChem CID117379596
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
SMILESCOc1cc(CC2CCNCC2)cc(OC)c1N
InChIInChI=1S/C14H22N2O2/c1-17-12-8-11(9-13(18-2)14(12)15)7-10-3-5-16-6-4-10/h8-10,16H,3-7,15H2,1-2H3
InChIKeyPIRGBNKEKRGQFU-UHFFFAOYSA-N
XLogP1.83
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
CID 117413198
2,6-dimethoxy-4-piperidin-4-ylaniline
CID 117345445
2-methoxy-6-nitro-4-(piperidin-4-ylmethyl)phenol
CID 116987626
4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117377205
2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 18539168
4-[(3-bromo-5-methoxyphenyl)methyl]piperidine;hydrochloride
CID 67000199
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline (CID 117379596) is 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline is COc1cc(CC2CCNCC2)cc(OC)c1N.
What is the InChIKey of 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline?
The InChIKey is PIRGBNKEKRGQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-12-8-11(9-13(18-2)14(12)15)7-10-3-5-16-6-4-10/h8-10,16H,3-7,15H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline?
2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline has a molecular weight of 250.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 117379596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).