[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol

C16H25NO — CID 175185076

IUPAC[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol
SMILESCC(C)(C)N1CCCC1Cc1ccc(CO)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)17-10-4-5-15(17)11-13-6-8-14(12-18)9-7-13/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyREYMBNIDDIZMRS-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.98
Rot. Bonds3

About [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol

[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol (PubChem CID 175185076) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol
PubChem CID175185076
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol
SMILESCC(C)(C)N1CCCC1Cc1ccc(CO)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)17-10-4-5-15(17)11-13-6-8-14(12-18)9-7-13/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyREYMBNIDDIZMRS-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-tert-butylpyrrolidine
CID 44597926
(1-tert-butylazepan-2-yl)methanol
CID 84660252
(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
CID 172515405
ditert-butyl (2R)-2-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1,4-dicarboxylate
CID 59325118
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
(2R)-2-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1,4-dicarboxylic acid
CID 68665483
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804

Frequently Asked Questions

What is the IUPAC name of [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol (CID 175185076) is [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol is CC(C)(C)N1CCCC1Cc1ccc(CO)cc1.
What is the InChIKey of [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol?
The InChIKey is REYMBNIDDIZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)17-10-4-5-15(17)11-13-6-8-14(12-18)9-7-13/h6-9,15,18H,4-5,10-12H2,1-3H3.
What are the key properties of [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol?
[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol is sourced from PubChem (CID 175185076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).