6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine

C13H20N4 — CID 79243577

IUPAC6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESNc1cccc(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H20N4/c14-13-3-1-2-11(15-13)10-16-6-8-17(9-7-16)12-4-5-12/h1-3,12H,4-10H2,(H2,14,15)
InChIKeyLYEYXWRVEKKVEJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.94
Rot. Bonds3

About 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine

6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 79243577) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID79243577
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESNc1cccc(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H20N4/c14-13-3-1-2-11(15-13)10-16-6-8-17(9-7-16)12-4-5-12/h1-3,12H,4-10H2,(H2,14,15)
InChIKeyLYEYXWRVEKKVEJ-UHFFFAOYSA-N
XLogP0.94
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine (CID 79243577) is 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine is Nc1cccc(CN2CCN(C3CC3)CC2)n1.
What is the InChIKey of 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is LYEYXWRVEKKVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-13-3-1-2-11(15-13)10-16-6-8-17(9-7-16)12-4-5-12/h1-3,12H,4-10H2,(H2,14,15).
What are the key properties of 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79243577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).