(3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol

C20H30N2O3 — CID 56854894

IUPAC(3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C20H30N2O3/c23-20-15-21(14-19(20)22-9-11-24-12-10-22)13-16-5-7-18(8-6-16)25-17-3-1-2-4-17/h5-8,17,19-20,23H,1-4,9-15H2/t19-,20-/m0/s1
InChIKeyLUGLIMCPAIWNER-PMACEKPBSA-N
MW346.47 g/mol
LogP1.89
Rot. Bonds5

About (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol

(3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 56854894) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID56854894
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C20H30N2O3/c23-20-15-21(14-19(20)22-9-11-24-12-10-22)13-16-5-7-18(8-6-16)25-17-3-1-2-4-17/h5-8,17,19-20,23H,1-4,9-15H2/t19-,20-/m0/s1
InChIKeyLUGLIMCPAIWNER-PMACEKPBSA-N
XLogP1.89
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol (CID 56854894) is (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol is O[C@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is LUGLIMCPAIWNER-PMACEKPBSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-20-15-21(14-19(20)22-9-11-24-12-10-22)13-16-5-7-18(8-6-16)25-17-3-1-2-4-17/h5-8,17,19-20,23H,1-4,9-15H2/t19-,20-/m0/s1.
What are the key properties of (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
(3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 346.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 56854894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).