1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol

C15H30N2O2 — CID 107264156

IUPAC1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCCC1C1CCCN1
InChIInChI=1S/C15H30N2O2/c1-2-3-10-19-12-13(18)11-17-9-5-7-15(17)14-6-4-8-16-14/h13-16,18H,2-12H2,1H3
InChIKeyAVQLPPJFTBECQR-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.38
Rot. Bonds8

About 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol

1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 107264156) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID107264156
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCCC1C1CCCN1
InChIInChI=1S/C15H30N2O2/c1-2-3-10-19-12-13(18)11-17-9-5-7-15(17)14-6-4-8-16-14/h13-16,18H,2-12H2,1H3
InChIKeyAVQLPPJFTBECQR-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
CID 63989070
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-2-ol
CID 63254458
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 82850475
1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol
CID 106992573
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol
CID 107264176
1-(3-butoxy-2-hydroxypropyl)piperidine-2-carbaldehyde
CID 107264385
1-butoxy-3-[(3S)-3-methylpiperazin-1-yl]propan-2-ol
CID 107264245
1-(3-butoxy-2-hydroxypropyl)piperazine-2-carboxylic acid
CID 107264189
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339580
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
2-pyrrolidin-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine
CID 62272890

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol (CID 107264156) is 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol is CCCCOCC(O)CN1CCCC1C1CCCN1.
What is the InChIKey of 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is AVQLPPJFTBECQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-10-19-12-13(18)11-17-9-5-7-15(17)14-6-4-8-16-14/h13-16,18H,2-12H2,1H3.
What are the key properties of 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 270.42 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 107264156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).