[1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol

C21H34N2O2 — CID 130205387

IUPAC[1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)N1CC(CC(C)N2CCCC2CO)C(Oc2ccccc2)C1
InChIInChI=1S/C21H34N2O2/c1-16(2)22-13-18(12-17(3)23-11-7-8-19(23)15-24)21(14-22)25-20-9-5-4-6-10-20/h4-6,9-10,16-19,21,24H,7-8,11-15H2,1-3H3
InChIKeySJSVLZAUQPLRFR-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.01
Rot. Bonds7

About [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol

[1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 130205387) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol
PubChem CID130205387
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name[1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)N1CC(CC(C)N2CCCC2CO)C(Oc2ccccc2)C1
InChIInChI=1S/C21H34N2O2/c1-16(2)22-13-18(12-17(3)23-11-7-8-19(23)15-24)21(14-22)25-20-9-5-4-6-10-20/h4-6,9-10,16-19,21,24H,7-8,11-15H2,1-3H3
InChIKeySJSVLZAUQPLRFR-UHFFFAOYSA-N
XLogP3.01
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol (CID 130205387) is [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol is CC(C)N1CC(CC(C)N2CCCC2CO)C(Oc2ccccc2)C1.
What is the InChIKey of [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SJSVLZAUQPLRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16(2)22-13-18(12-17(3)23-11-7-8-19(23)15-24)21(14-22)25-20-9-5-4-6-10-20/h4-6,9-10,16-19,21,24H,7-8,11-15H2,1-3H3.
What are the key properties of [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol?
[1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 346.51 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 130205387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).