4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline

C15H24N2O2 — CID 106633371

IUPAC4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
SMILESCOc1cc(C)c(NCC2CCCCN2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-11-8-14(18-2)15(19-3)9-13(11)17-10-12-6-4-5-7-16-12/h8-9,12,16-17H,4-7,10H2,1-3H3
InChIKeyUZQFNOODNSMJAI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.57
Rot. Bonds5

About 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline

4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106633371) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
PubChem CID106633371
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
SMILESCOc1cc(C)c(NCC2CCCCN2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-11-8-14(18-2)15(19-3)9-13(11)17-10-12-6-4-5-7-16-12/h8-9,12,16-17H,4-7,10H2,1-3H3
InChIKeyUZQFNOODNSMJAI-UHFFFAOYSA-N
XLogP2.57
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
5-chloro-4-methoxy-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210121
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
CID 81304983
N,4-dimethyl-3-(piperidin-2-ylmethylamino)benzamide
CID 106633432
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,5-dimethoxy-2-methylaniline
CID 62066354
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
3-fluoro-5-methoxy-N-(piperidin-2-ylmethyl)aniline
CID 114262758
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline (CID 106633371) is 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline is COc1cc(C)c(NCC2CCCCN2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is UZQFNOODNSMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-8-14(18-2)15(19-3)9-13(11)17-10-12-6-4-5-7-16-12/h8-9,12,16-17H,4-7,10H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline?
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 264.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106633371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).