N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine

C13H20N4 — CID 44546968

IUPACN-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine
SMILESc1cc(N2CCNCC2)cc(NCC2CC2)n1
InChIInChI=1S/C13H20N4/c1-2-11(1)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17/h3-4,9,11,14H,1-2,5-8,10H2,(H,15,16)
InChIKeyUZLHBGZXOOPWEB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.31
Rot. Bonds4

About N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine

N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine (PubChem CID 44546968) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine
PubChem CID44546968
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine
SMILESc1cc(N2CCNCC2)cc(NCC2CC2)n1
InChIInChI=1S/C13H20N4/c1-2-11(1)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17/h3-4,9,11,14H,1-2,5-8,10H2,(H,15,16)
InChIKeyUZLHBGZXOOPWEB-UHFFFAOYSA-N
XLogP1.31
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine (CID 44546968) is N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine is c1cc(N2CCNCC2)cc(NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine?
The InChIKey is UZLHBGZXOOPWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-11(1)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17/h3-4,9,11,14H,1-2,5-8,10H2,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine?
N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 44546968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).