6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine

C18H31N5 — CID 86787630

IUPAC6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine
SMILESCC(C)N1CCC(Nc2ccc(N3CCN(C)CC3)nc2)CC1
InChIInChI=1S/C18H31N5/c1-15(2)22-8-6-16(7-9-22)20-17-4-5-18(19-14-17)23-12-10-21(3)11-13-23/h4-5,14-16,20H,6-13H2,1-3H3
InChIKeyYBGIMTWZIPPBBU-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.12
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine

6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine (PubChem CID 86787630) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine
PubChem CID86787630
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine
SMILESCC(C)N1CCC(Nc2ccc(N3CCN(C)CC3)nc2)CC1
InChIInChI=1S/C18H31N5/c1-15(2)22-8-6-16(7-9-22)20-17-4-5-18(19-14-17)23-12-10-21(3)11-13-23/h4-5,14-16,20H,6-13H2,1-3H3
InChIKeyYBGIMTWZIPPBBU-UHFFFAOYSA-N
XLogP2.12
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine (CID 86787630) is 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine is CC(C)N1CCC(Nc2ccc(N3CCN(C)CC3)nc2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine?
The InChIKey is YBGIMTWZIPPBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-15(2)22-8-6-16(7-9-22)20-17-4-5-18(19-14-17)23-12-10-21(3)11-13-23/h4-5,14-16,20H,6-13H2,1-3H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine?
6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine has a molecular weight of 317.48 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine is sourced from PubChem (CID 86787630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).