1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol

C21H26N2O — CID 132507463

IUPAC1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(Cc3ccccc3)c(N3CCCC3)c2)C1
InChIInChI=1S/C21H26N2O/c24-20-10-13-23(16-20)19-9-8-18(14-17-6-2-1-3-7-17)21(15-19)22-11-4-5-12-22/h1-3,6-9,15,20,24H,4-5,10-14,16H2
InChIKeyFKBFVIXBYRMUEX-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol

1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol (PubChem CID 132507463) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol
PubChem CID132507463
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(Cc3ccccc3)c(N3CCCC3)c2)C1
InChIInChI=1S/C21H26N2O/c24-20-10-13-23(16-20)19-9-8-18(14-17-6-2-1-3-7-17)21(15-19)22-11-4-5-12-22/h1-3,6-9,15,20,24H,4-5,10-14,16H2
InChIKeyFKBFVIXBYRMUEX-UHFFFAOYSA-N
XLogP3.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzyl-3-pyrrolidin-1-ylphenyl)azepane
CID 132507464
1-phenylpyrrolidin-3-ol
CID 11171152
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
1-[4-amino-3-(aminomethyl)phenyl]pyrrolidin-3-ol
CID 82507359
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
1-(4-amino-3-ethylphenyl)pyrrolidin-3-ol
CID 22034798
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
1-[3-bromo-4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 114060813
3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one
CID 81308553
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
(3R)-1-benzylazepan-3-ol
CID 124585423

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol (CID 132507463) is 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol is OC1CCN(c2ccc(Cc3ccccc3)c(N3CCCC3)c2)C1.
What is the InChIKey of 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol?
The InChIKey is FKBFVIXBYRMUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-20-10-13-23(16-20)19-9-8-18(14-17-6-2-1-3-7-17)21(15-19)22-11-4-5-12-22/h1-3,6-9,15,20,24H,4-5,10-14,16H2.
What are the key properties of 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol?
1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol has a molecular weight of 322.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-pyrrolidin-1-ylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 132507463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).