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

C19H28N2O2 — CID 86814994

IUPAC[(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H28N2O2/c1-15(20-18-8-7-16(13-18)14-22)19(17-5-3-2-4-6-17)21-9-11-23-12-10-21/h2-8,15-16,18-20,22H,9-14H2,1H3/t15?,16-,18+,19?/m0/s1
InChIKeyIZUWTGSWCQNINA-DPCKTDSQSA-N
MW316.44 g/mol
LogP1.98
Rot. Bonds6

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

[(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol (PubChem CID 86814994) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol
PubChem CID86814994
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol
SMILESCC(N[C@@H]1C=C[C@H](CO)C1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H28N2O2/c1-15(20-18-8-7-16(13-18)14-22)19(17-5-3-2-4-6-17)21-9-11-23-12-10-21/h2-8,15-16,18-20,22H,9-14H2,1H3/t15?,16-,18+,19?/m0/s1
InChIKeyIZUWTGSWCQNINA-DPCKTDSQSA-N
XLogP1.98
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol with MolForge

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Related Compounds

1-[(3S)-3-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 97329232
[(1R,4S)-4-[[1-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]cyclopent-2-en-1-yl]methanol
CID 166210498
N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326068
1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 111755508
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
CID 100894383
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
4-[(1R,2S)-2-(9-borabicyclo[3.3.1]nonan-9-yl)-1-phenylpropyl]morpholine
CID 135048781
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 4079061
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol (CID 86814994) is [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol is CC(N[C@@H]1C=C[C@H](CO)C1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is IZUWTGSWCQNINA-DPCKTDSQSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(20-18-8-7-16(13-18)14-22)19(17-5-3-2-4-6-17)21-9-11-23-12-10-21/h2-8,15-16,18-20,22H,9-14H2,1H3/t15?,16-,18+,19?/m0/s1.
What are the key properties of [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 316.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86814994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).