6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine

C15H24N4O — CID 43591958

IUPAC6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(CC3CCCCO3)CC2)nc1
InChIInChI=1S/C15H24N4O/c16-13-4-5-15(17-11-13)19-8-6-18(7-9-19)12-14-3-1-2-10-20-14/h4-5,11,14H,1-3,6-10,12,16H2
InChIKeyQMUQXZACQOTXOI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds3

About 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine

6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 43591958) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine
PubChem CID43591958
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(CC3CCCCO3)CC2)nc1
InChIInChI=1S/C15H24N4O/c16-13-4-5-15(17-11-13)19-8-6-18(7-9-19)12-14-3-1-2-10-20-14/h4-5,11,14H,1-3,6-10,12,16H2
InChIKeyQMUQXZACQOTXOI-UHFFFAOYSA-N
XLogP1.35
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine (CID 43591958) is 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine is Nc1ccc(N2CCN(CC3CCCCO3)CC2)nc1.
What is the InChIKey of 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is QMUQXZACQOTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-13-4-5-15(17-11-13)19-8-6-18(7-9-19)12-14-3-1-2-10-20-14/h4-5,11,14H,1-3,6-10,12,16H2.
What are the key properties of 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine?
6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 43591958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).