1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol

C14H21NO2 — CID 106672877

IUPAC1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
SMILESCC(C)c1ccc(CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(16)14(17)9-15/h3-6,10,13-14,16-17H,7-9H2,1-2H3
InChIKeyGZNYOXGSYHQADK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.35
Rot. Bonds3

About 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol

1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol (PubChem CID 106672877) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
PubChem CID106672877
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
SMILESCC(C)c1ccc(CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(16)14(17)9-15/h3-6,10,13-14,16-17H,7-9H2,1-2H3
InChIKeyGZNYOXGSYHQADK-UHFFFAOYSA-N
XLogP1.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 138715501
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 134697462
(3S,4R)-1-[(4-propan-2-ylphenyl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 134706305
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70716708
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol (CID 106672877) is 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol is CC(C)c1ccc(CN2CC(O)C(O)C2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is GZNYOXGSYHQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12-5-3-11(4-6-12)7-15-8-13(16)14(17)9-15/h3-6,10,13-14,16-17H,7-9H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol?
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 235.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).