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

C21H32N8 — CID 58949098

IUPAC1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine
SMILESNC1CC(N)CN(c2cc(Nc3ccccc3)cc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C21H32N8/c22-14-6-15(23)11-28(10-14)20-8-19(26-18-4-2-1-3-5-18)9-21(27-20)29-12-16(24)7-17(25)13-29/h1-5,8-9,14-17H,6-7,10-13,22-25H2,(H,26,27)
InChIKeySVARJSWQKOTRHI-UHFFFAOYSA-N
MW396.54 g/mol
LogP0.55
Rot. Bonds4

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

1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine (PubChem CID 58949098) has the molecular formula C21H32N8 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine.

Molecular Properties

Compound Name1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine
PubChem CID58949098
Molecular FormulaC21H32N8
Molecular Weight396.54 g/mol
Exact Mass396.27
IUPAC Name1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine
SMILESNC1CC(N)CN(c2cc(Nc3ccccc3)cc(N3CC(N)CC(N)C3)n2)C1
InChIInChI=1S/C21H32N8/c22-14-6-15(23)11-28(10-14)20-8-19(26-18-4-2-1-3-5-18)9-21(27-20)29-12-16(24)7-17(25)13-29/h1-5,8-9,14-17H,6-7,10-13,22-25H2,(H,26,27)
InChIKeySVARJSWQKOTRHI-UHFFFAOYSA-N
XLogP0.55
TPSA135.48 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 50.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine?
The IUPAC name of 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine (CID 58949098) is 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine.
What is the SMILES notation for 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine?
The canonical SMILES for 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine is NC1CC(N)CN(c2cc(Nc3ccccc3)cc(N3CC(N)CC(N)C3)n2)C1.
What is the InChIKey of 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine?
The InChIKey is SVARJSWQKOTRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N8/c22-14-6-15(23)11-28(10-14)20-8-19(26-18-4-2-1-3-5-18)9-21(27-20)29-12-16(24)7-17(25)13-29/h1-5,8-9,14-17H,6-7,10-13,22-25H2,(H,26,27).
What are the key properties of 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine?
1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine has a molecular weight of 396.54 g/mol, XLogP of 0.55, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-anilino-6-(3,5-diaminopiperidin-1-yl)-2-pyridinyl]piperidine-3,5-diamine is sourced from PubChem (CID 58949098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).