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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Related Compounds

(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
CID 83846266
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
CID 155636797
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1H-pyrrol-3-yl)methanone
CID 131684068
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propan-2-ylpiperidin-3-ol
CID 176799701
1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852

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).