4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine

C15H22N4 — CID 43779940

IUPAC4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine
SMILESC#CCN1CCC(Nc2cnccc2N(C)C)CC1
InChIInChI=1S/C15H22N4/c1-4-9-19-10-6-13(7-11-19)17-14-12-16-8-5-15(14)18(2)3/h1,5,8,12-13,17H,6-7,9-11H2,2-3H3
InChIKeyJACPVHJUIJSSCK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.66
Rot. Bonds4

About 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine

4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine (PubChem CID 43779940) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine
PubChem CID43779940
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine
SMILESC#CCN1CCC(Nc2cnccc2N(C)C)CC1
InChIInChI=1S/C15H22N4/c1-4-9-19-10-6-13(7-11-19)17-14-12-16-8-5-15(14)18(2)3/h1,5,8,12-13,17H,6-7,9-11H2,2-3H3
InChIKeyJACPVHJUIJSSCK-UHFFFAOYSA-N
XLogP1.66
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine (CID 43779940) is 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine is C#CCN1CCC(Nc2cnccc2N(C)C)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine?
The InChIKey is JACPVHJUIJSSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-9-19-10-6-13(7-11-19)17-14-12-16-8-5-15(14)18(2)3/h1,5,8,12-13,17H,6-7,9-11H2,2-3H3.
What are the key properties of 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine?
4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-3-N-(1-prop-2-ynylpiperidin-4-yl)pyridine-3,4-diamine is sourced from PubChem (CID 43779940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).