[(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol

C20H30N2O2 — CID 166210498

IUPAC[(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCCc1ccc(C(CN2CCOCC2)N[C@@H]2C=C[C@H](CO)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-16-3-6-18(7-4-16)20(14-22-9-11-24-12-10-22)21-19-8-5-17(13-19)15-23/h3-8,17,19-21,23H,2,9-15H2,1H3/t17-,19+,20?/m0/s1
InChIKeyDUURDJSUUWPYEX-XRRBNZLQSA-N
MW330.47 g/mol
LogP2.15
Rot. Bonds7

About [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 166210498) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID166210498
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCCc1ccc(C(CN2CCOCC2)N[C@@H]2C=C[C@H](CO)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-16-3-6-18(7-4-16)20(14-22-9-11-24-12-10-22)21-19-8-5-17(13-19)15-23/h3-8,17,19-21,23H,2,9-15H2,1H3/t17-,19+,20?/m0/s1
InChIKeyDUURDJSUUWPYEX-XRRBNZLQSA-N
XLogP2.15
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol (CID 166210498) is [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol is CCc1ccc(C(CN2CCOCC2)N[C@@H]2C=C[C@H](CO)C2)cc1.
What is the InChIKey of [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is DUURDJSUUWPYEX-XRRBNZLQSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-16-3-6-18(7-4-16)20(14-22-9-11-24-12-10-22)21-19-8-5-17(13-19)15-23/h3-8,17,19-21,23H,2,9-15H2,1H3/t17-,19+,20?/m0/s1.
What are the key properties of [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 330.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 166210498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).