1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C19H36N10 — CID 21103664

IUPAC1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCC1CCCN(c2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C19H36N10/c1-12-3-2-4-27(7-12)17-24-18(28-8-13(20)5-14(21)9-28)26-19(25-17)29-10-15(22)6-16(23)11-29/h12-16H,2-11,20-23H2,1H3
InChIKeySITUAOZQONBVQI-UHFFFAOYSA-N
MW404.57 g/mol
LogP-1.16
Rot. Bonds3

About 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine

1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 21103664) has the molecular formula C19H36N10 and a molecular weight of 404.57 g/mol. Its IUPAC name is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID21103664
Molecular FormulaC19H36N10
Molecular Weight404.57 g/mol
Exact Mass404.31
IUPAC Name1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESCC1CCCN(c2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C19H36N10/c1-12-3-2-4-27(7-12)17-24-18(28-8-13(20)5-14(21)9-28)26-19(25-17)29-10-15(22)6-16(23)11-29/h12-16H,2-11,20-23H2,1H3
InChIKeySITUAOZQONBVQI-UHFFFAOYSA-N
XLogP-1.16
TPSA152.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.57
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 21103664) is 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is CC1CCCN(c2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)C1.
What is the InChIKey of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is SITUAOZQONBVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N10/c1-12-3-2-4-27(7-12)17-24-18(28-8-13(20)5-14(21)9-28)26-19(25-17)29-10-15(22)6-16(23)11-29/h12-16H,2-11,20-23H2,1H3.
What are the key properties of 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 404.57 g/mol, XLogP of -1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-diaminopiperidin-1-yl)-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 21103664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).