4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine

C19H25N3O — CID 58608359

IUPAC4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1N
InChIInChI=1S/C19H25N3O/c1-23-19-13-17(7-8-18(19)20)21-16-9-11-22(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14,20H2,1H3
InChIKeyCPGYISASOHEGNN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.35
Rot. Bonds5

About 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine

4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine (PubChem CID 58608359) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
PubChem CID58608359
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1N
InChIInChI=1S/C19H25N3O/c1-23-19-13-17(7-8-18(19)20)21-16-9-11-22(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14,20H2,1H3
InChIKeyCPGYISASOHEGNN-UHFFFAOYSA-N
XLogP3.35
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.35
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-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine
CID 117087606
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 63669829
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
CID 63676263
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
CID 118997215
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine (CID 58608359) is 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine is COc1cc(NC2CCN(Cc3ccccc3)CC2)ccc1N.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine?
The InChIKey is CPGYISASOHEGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-19-13-17(7-8-18(19)20)21-16-9-11-22(12-10-16)14-15-5-3-2-4-6-15/h2-8,13,16,21H,9-12,14,20H2,1H3.
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine?
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine has a molecular weight of 311.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 58608359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).