(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol

C49H75N3O5 — CID 157458610

IUPAC(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol
SMILESCOCCCC[C@@H](c1ccccc1)[C@H]1CNCCO1.COCCC[C@@](O)(c1ccccc1)[C@@H]1CCCNC1.c1ccc([C@H](OCCC2CC2)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C17H25NO.2C16H25NO2/c1-2-5-15(6-3-1)17(16-7-4-11-18-13-16)19-12-10-14-8-9-14;1-19-12-6-10-16(18,14-7-3-2-4-8-14)15-9-5-11-17-13-15;1-18-11-6-5-9-15(14-7-3-2-4-8-14)16-13-17-10-12-19-16/h1-3,5-6,14,16-18H,4,7-13H2;2-4,7-8,15,17-18H,5-6,9-13H2,1H3;2-4,7-8,15-17H,5-6,9-13H2,1H3/t16-,17+;15-,16-;15-,16+/m110/s1
InChIKeyBTQSAPASDXQLHG-LFYGPHDESA-N
MW786.15 g/mol
LogP8.42
Rot. Bonds19

About (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol

(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol (PubChem CID 157458610) has the molecular formula C49H75N3O5 and a molecular weight of 786.15 g/mol. Its IUPAC name is (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol
PubChem CID157458610
Molecular FormulaC49H75N3O5
Molecular Weight786.15 g/mol
Exact Mass785.57
IUPAC Name(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol
SMILESCOCCCC[C@@H](c1ccccc1)[C@H]1CNCCO1.COCCC[C@@](O)(c1ccccc1)[C@@H]1CCCNC1.c1ccc([C@H](OCCC2CC2)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C17H25NO.2C16H25NO2/c1-2-5-15(6-3-1)17(16-7-4-11-18-13-16)19-12-10-14-8-9-14;1-19-12-6-10-16(18,14-7-3-2-4-8-14)15-9-5-11-17-13-15;1-18-11-6-5-9-15(14-7-3-2-4-8-14)16-13-17-10-12-19-16/h1-3,5-6,14,16-18H,4,7-13H2;2-4,7-8,15,17-18H,5-6,9-13H2,1H3;2-4,7-8,15-17H,5-6,9-13H2,1H3/t16-,17+;15-,16-;15-,16+/m110/s1
InChIKeyBTQSAPASDXQLHG-LFYGPHDESA-N
XLogP8.42
TPSA93.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.15
LogP ≤ 58.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol with MolForge

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Related Compounds

3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67188318
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
1,2-diphenyl-1-piperidin-3-ylethanol
CID 24842706
(1S)-1-(1-benzothiophen-2-yl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 59382913
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 141142747
(3R)-3-[(R)-[2-(2-cyclopropylethynyl)phenyl]-(3-methoxypropoxy)methyl]piperidine;(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-quinolin-8-ylpentan-1-ol
CID 158206424
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
2-(1-phenylpropyl)morpholine
CID 70531832

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol?
The IUPAC name of (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol (CID 157458610) is (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol.
What is the SMILES notation for (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol?
The canonical SMILES for (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol is COCCCC[C@@H](c1ccccc1)[C@H]1CNCCO1.COCCC[C@@](O)(c1ccccc1)[C@@H]1CCCNC1.c1ccc([C@H](OCCC2CC2)[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol?
The InChIKey is BTQSAPASDXQLHG-LFYGPHDESA-N. The full InChI is InChI=1S/C17H25NO.2C16H25NO2/c1-2-5-15(6-3-1)17(16-7-4-11-18-13-16)19-12-10-14-8-9-14;1-19-12-6-10-16(18,14-7-3-2-4-8-14)15-9-5-11-17-13-15;1-18-11-6-5-9-15(14-7-3-2-4-8-14)16-13-17-10-12-19-16/h1-3,5-6,14,16-18H,4,7-13H2;2-4,7-8,15,17-18H,5-6,9-13H2,1H3;2-4,7-8,15-17H,5-6,9-13H2,1H3/t16-,17+;15-,16-;15-,16+/m110/s1.
What are the key properties of (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol?
(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol has a molecular weight of 786.15 g/mol, XLogP of 8.42, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol is sourced from PubChem (CID 157458610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).