4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline

C15H24N2O — CID 115209530

IUPAC4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
SMILESCOc1c(C)cc(NCC2CCCNC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-7-14(8-12(2)15(11)18-3)17-10-13-5-4-6-16-9-13/h7-8,13,16-17H,4-6,9-10H2,1-3H3
InChIKeyZLBDYYRMFHXJCB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds4

About 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline

4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline (PubChem CID 115209530) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
PubChem CID115209530
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
SMILESCOc1c(C)cc(NCC2CCCNC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-7-14(8-12(2)15(11)18-3)17-10-13-5-4-6-16-9-13/h7-8,13,16-17H,4-6,9-10H2,1-3H3
InChIKeyZLBDYYRMFHXJCB-UHFFFAOYSA-N
XLogP2.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2,5-difluoro-4-methyl-N-(piperidin-3-ylmethyl)aniline
CID 103584964
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
4-methoxy-3,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210173
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline (CID 115209530) is 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline is COc1c(C)cc(NCC2CCCNC2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is ZLBDYYRMFHXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-14(8-12(2)15(11)18-3)17-10-13-5-4-6-16-9-13/h7-8,13,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline?
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 115209530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).