1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol

C27H38N2O3 — CID 67543421

IUPAC1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol
SMILESCOc1ccccc1C(O)CN1CCCC1c1cccc(OCCCN2CCCCC2)c1
InChIInChI=1S/C27H38N2O3/c1-31-27-14-4-3-12-24(27)26(30)21-29-18-8-13-25(29)22-10-7-11-23(20-22)32-19-9-17-28-15-5-2-6-16-28/h3-4,7,10-12,14,20,25-26,30H,2,5-6,8-9,13,15-19,21H2,1H3
InChIKeySPOMVNRMALVQPJ-UHFFFAOYSA-N
MW438.61 g/mol
LogP4.82
Rot. Bonds10

About 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol

1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol (PubChem CID 67543421) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol
PubChem CID67543421
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC Name1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol
SMILESCOc1ccccc1C(O)CN1CCCC1c1cccc(OCCCN2CCCCC2)c1
InChIInChI=1S/C27H38N2O3/c1-31-27-14-4-3-12-24(27)26(30)21-29-18-8-13-25(29)22-10-7-11-23(20-22)32-19-9-17-28-15-5-2-6-16-28/h3-4,7,10-12,14,20,25-26,30H,2,5-6,8-9,13,15-19,21H2,1H3
InChIKeySPOMVNRMALVQPJ-UHFFFAOYSA-N
XLogP4.82
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-nitrophenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol
CID 67542632
1-[4-(dimethylamino)phenyl]-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 67543074
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78834159
(1S)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-1-(2-fluorophenyl)ethanol
CID 34191043
N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 91840346
1-(4-methylsulfanylphenyl)-2-[2-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 67545408
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol (CID 67543421) is 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol is COc1ccccc1C(O)CN1CCCC1c1cccc(OCCCN2CCCCC2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol?
The InChIKey is SPOMVNRMALVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3/c1-31-27-14-4-3-12-24(27)26(30)21-29-18-8-13-25(29)22-10-7-11-23(20-22)32-19-9-17-28-15-5-2-6-16-28/h3-4,7,10-12,14,20,25-26,30H,2,5-6,8-9,13,15-19,21H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol?
1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol has a molecular weight of 438.61 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[2-[3-(3-piperidin-1-ylpropoxy)phenyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 67543421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).