4-(1-methylpiperidin-4-yl)benzene-1,3-diamine

C12H19N3 — CID 142507693

IUPAC4-(1-methylpiperidin-4-yl)benzene-1,3-diamine
SMILESCN1CCC(c2ccc(N)cc2N)CC1
InChIInChI=1S/C12H19N3/c1-15-6-4-9(5-7-15)11-3-2-10(13)8-12(11)14/h2-3,8-9H,4-7,13-14H2,1H3
InChIKeyPERNJNBQYXIFLB-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.66
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine

4-(1-methylpiperidin-4-yl)benzene-1,3-diamine (PubChem CID 142507693) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)benzene-1,3-diamine
PubChem CID142507693
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-(1-methylpiperidin-4-yl)benzene-1,3-diamine
SMILESCN1CCC(c2ccc(N)cc2N)CC1
InChIInChI=1S/C12H19N3/c1-15-6-4-9(5-7-15)11-3-2-10(13)8-12(11)14/h2-3,8-9H,4-7,13-14H2,1H3
InChIKeyPERNJNBQYXIFLB-UHFFFAOYSA-N
XLogP1.66
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine (CID 142507693) is 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine is CN1CCC(c2ccc(N)cc2N)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine?
The InChIKey is PERNJNBQYXIFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-6-4-9(5-7-15)11-3-2-10(13)8-12(11)14/h2-3,8-9H,4-7,13-14H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine?
4-(1-methylpiperidin-4-yl)benzene-1,3-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)benzene-1,3-diamine is sourced from PubChem (CID 142507693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).