2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol

C17H27NO — CID 15727393

IUPAC2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,3)17(4,19)15-11-8-12-18(15)13-14-9-6-5-7-10-14/h5-7,9-10,15,19H,8,11-13H2,1-4H3
InChIKeySBWKADNSQXQMSY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds3

About 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol

2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol (PubChem CID 15727393) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol
PubChem CID15727393
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(C)(O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,3)17(4,19)15-11-8-12-18(15)13-14-9-6-5-7-10-14/h5-7,9-10,15,19H,8,11-13H2,1-4H3
InChIKeySBWKADNSQXQMSY-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol (CID 15727393) is 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(C)(O)C1CCCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is SBWKADNSQXQMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)17(4,19)15-11-8-12-18(15)13-14-9-6-5-7-10-14/h5-7,9-10,15,19H,8,11-13H2,1-4H3.
What are the key properties of 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol?
2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-2-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 15727393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).