2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol

C15H23NO2 — CID 110009559

IUPAC2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1Cc1ccc(CO)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,18)14-4-3-9-16(14)10-12-5-7-13(11-17)8-6-12/h5-8,14,17-18H,3-4,9-11H2,1-2H3
InChIKeyFTWCKIVMEMAOGY-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.91
Rot. Bonds4

About 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol

2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 110009559) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID110009559
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCCN1Cc1ccc(CO)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,18)14-4-3-9-16(14)10-12-5-7-13(11-17)8-6-12/h5-8,14,17-18H,3-4,9-11H2,1-2H3
InChIKeyFTWCKIVMEMAOGY-UHFFFAOYSA-N
XLogP1.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

[4-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methanol
CID 112631290
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
2-[1-[(4-nitrophenyl)methyl]pyrrolidin-2-yl]propan-2-ol;2-pyrrolidin-2-ylpropan-2-ol
CID 159503747
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883
2-tert-butyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 67953462
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
[4-[[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 150173425
2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97325868
2-[(2S)-1-benzylpyrrolidin-2-yl]-3-ethoxybut-3-en-2-ol
CID 15720197
2-[(2S)-1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97329723

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol (CID 110009559) is 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)C1CCCN1Cc1ccc(CO)cc1.
What is the InChIKey of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is FTWCKIVMEMAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,18)14-4-3-9-16(14)10-12-5-7-13(11-17)8-6-12/h5-8,14,17-18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol?
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 110009559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).