4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol

C15H22N2O — CID 117368692

IUPAC4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1ccc(N2CCCC2)cc1CC1CCCN1
InChIInChI=1S/C15H22N2O/c18-15-6-5-14(17-8-1-2-9-17)11-12(15)10-13-4-3-7-16-13/h5-6,11,13,16,18H,1-4,7-10H2
InChIKeyORYQEFLZUBKXDN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.29
Rot. Bonds3

About 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol

4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117368692) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117368692
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1ccc(N2CCCC2)cc1CC1CCCN1
InChIInChI=1S/C15H22N2O/c18-15-6-5-14(17-8-1-2-9-17)11-12(15)10-13-4-3-7-16-13/h5-6,11,13,16,18H,1-4,7-10H2
InChIKeyORYQEFLZUBKXDN-UHFFFAOYSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
CID 11287692
4-nitro-2-(piperidin-2-ylmethyl)phenol
CID 117344884
2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
CID 117341092
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol
CID 117297782
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol (CID 117368692) is 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol is Oc1ccc(N2CCCC2)cc1CC1CCCN1.
What is the InChIKey of 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is ORYQEFLZUBKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-6-5-14(17-8-1-2-9-17)11-12(15)10-13-4-3-7-16-13/h5-6,11,13,16,18H,1-4,7-10H2.
What are the key properties of 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol?
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 246.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117368692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).