1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine

C12H23N3O2 — CID 171557340

IUPAC1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine
SMILESCC(C)N1CCC(O)C(O)C1.Nc1cc[nH]c1
InChIInChI=1S/C8H17NO2.C4H6N2/c1-6(2)9-4-3-7(10)8(11)5-9;5-4-1-2-6-3-4/h6-8,10-11H,3-5H2,1-2H3;1-3,6H,5H2
InChIKeyUGZNYZVVNQHLKB-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.42
Rot. Bonds1

About 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine

1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine (PubChem CID 171557340) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine.

Molecular Properties

Compound Name1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine
PubChem CID171557340
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine
SMILESCC(C)N1CCC(O)C(O)C1.Nc1cc[nH]c1
InChIInChI=1S/C8H17NO2.C4H6N2/c1-6(2)9-4-3-7(10)8(11)5-9;5-4-1-2-6-3-4/h6-8,10-11H,3-5H2,1-2H3;1-3,6H,5H2
InChIKeyUGZNYZVVNQHLKB-UHFFFAOYSA-N
XLogP0.42
TPSA85.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine?
The IUPAC name of 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine (CID 171557340) is 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine.
What is the SMILES notation for 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine?
The canonical SMILES for 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine is CC(C)N1CCC(O)C(O)C1.Nc1cc[nH]c1.
What is the InChIKey of 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine?
The InChIKey is UGZNYZVVNQHLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C4H6N2/c1-6(2)9-4-3-7(10)8(11)5-9;5-4-1-2-6-3-4/h6-8,10-11H,3-5H2,1-2H3;1-3,6H,5H2.
What are the key properties of 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine?
1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine has a molecular weight of 241.33 g/mol, XLogP of 0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine is sourced from PubChem (CID 171557340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).