1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol

C23H30N2O4 — CID 16674031

IUPAC1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1cc(N2CCOCC2)c(OC)cc1CN1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C23H30N2O4/c1-27-21-15-20(25-10-12-29-13-11-25)22(28-2)14-18(21)16-24-9-8-23(26,17-24)19-6-4-3-5-7-19/h3-7,14-15,26H,8-13,16-17H2,1-2H3
InChIKeyOLRWNLSRKLIPTL-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.63
Rot. Bonds6

About 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol

1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 16674031) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID16674031
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1cc(N2CCOCC2)c(OC)cc1CN1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C23H30N2O4/c1-27-21-15-20(25-10-12-29-13-11-25)22(28-2)14-18(21)16-24-9-8-23(26,17-24)19-6-4-3-5-7-19/h3-7,14-15,26H,8-13,16-17H2,1-2H3
InChIKeyOLRWNLSRKLIPTL-UHFFFAOYSA-N
XLogP2.63
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99962045
(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51590100
1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674082
(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51595829
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol (CID 16674031) is 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol is COc1cc(N2CCOCC2)c(OC)cc1CN1CCC(O)(c2ccccc2)C1.
What is the InChIKey of 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is OLRWNLSRKLIPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-21-15-20(25-10-12-29-13-11-25)22(28-2)14-18(21)16-24-9-8-23(26,17-24)19-6-4-3-5-7-19/h3-7,14-15,26H,8-13,16-17H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 398.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxy-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 16674031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).