2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine

C12H19N3 — CID 21132352

IUPAC2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
SMILESCN1CCC(Nc2ccccc2N)CC1
InChIInChI=1S/C12H19N3/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3
InChIKeyZXONFSGVQZHXDB-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.77
Rot. Bonds2

About 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine

2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine (PubChem CID 21132352) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
PubChem CID21132352
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
SMILESCN1CCC(Nc2ccccc2N)CC1
InChIInChI=1S/C12H19N3/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3
InChIKeyZXONFSGVQZHXDB-UHFFFAOYSA-N
XLogP1.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine (CID 21132352) is 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine is CN1CCC(Nc2ccccc2N)CC1.
What is the InChIKey of 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
The InChIKey is ZXONFSGVQZHXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-8-6-10(7-9-15)14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9,13H2,1H3.
What are the key properties of 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 21132352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).