2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol

C16H25NO — CID 82086606

IUPAC2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
SMILESCC(C)(C)c1ccc(C(CO)N2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-8-6-13(7-9-14)15(12-18)17-10-4-5-11-17/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyPGDBOKAOBKTAEE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol

2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 82086606) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID82086606
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
SMILESCC(C)(C)c1ccc(C(CO)N2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-8-6-13(7-9-14)15(12-18)17-10-4-5-11-17/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyPGDBOKAOBKTAEE-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860322
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethanol
CID 54776099

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol (CID 82086606) is 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol is CC(C)(C)c1ccc(C(CO)N2CCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is PGDBOKAOBKTAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)14-8-6-13(7-9-14)15(12-18)17-10-4-5-11-17/h6-9,15,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol?
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 247.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 82086606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).