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

C14H28N2O2 — CID 63989070

IUPAC1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCC(C)OCC(O)CN1CCCC1C1CCCN1
InChIInChI=1S/C14H28N2O2/c1-11(2)18-10-12(17)9-16-8-4-6-14(16)13-5-3-7-15-13/h11-15,17H,3-10H2,1-2H3
InChIKeyHHTCGUMYLMQHGZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds6

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

1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 63989070) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID63989070
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCC(C)OCC(O)CN1CCCC1C1CCCN1
InChIInChI=1S/C14H28N2O2/c1-11(2)18-10-12(17)9-16-8-4-6-14(16)13-5-3-7-15-13/h11-15,17H,3-10H2,1-2H3
InChIKeyHHTCGUMYLMQHGZ-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol (CID 63989070) is 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol is CC(C)OCC(O)CN1CCCC1C1CCCN1.
What is the InChIKey of 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is HHTCGUMYLMQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)18-10-12(17)9-16-8-4-6-14(16)13-5-3-7-15-13/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol?
1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 63989070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).