1-(2-pyrrolidin-1-ylphenyl)butan-1-ol

C14H21NO — CID 134848997

IUPAC1-(2-pyrrolidin-1-ylphenyl)butan-1-ol
SMILESCCCC(O)c1ccccc1N1CCCC1
InChIInChI=1S/C14H21NO/c1-2-7-14(16)12-8-3-4-9-13(12)15-10-5-6-11-15/h3-4,8-9,14,16H,2,5-7,10-11H2,1H3
InChIKeyWGAFQPQBDMSASY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol

1-(2-pyrrolidin-1-ylphenyl)butan-1-ol (PubChem CID 134848997) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylphenyl)butan-1-ol
PubChem CID134848997
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-pyrrolidin-1-ylphenyl)butan-1-ol
SMILESCCCC(O)c1ccccc1N1CCCC1
InChIInChI=1S/C14H21NO/c1-2-7-14(16)12-8-3-4-9-13(12)15-10-5-6-11-15/h3-4,8-9,14,16H,2,5-7,10-11H2,1H3
InChIKeyWGAFQPQBDMSASY-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol?
The IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol (CID 134848997) is 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol?
The canonical SMILES for 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol is CCCC(O)c1ccccc1N1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol?
The InChIKey is WGAFQPQBDMSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-7-14(16)12-8-3-4-9-13(12)15-10-5-6-11-15/h3-4,8-9,14,16H,2,5-7,10-11H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol?
1-(2-pyrrolidin-1-ylphenyl)butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylphenyl)butan-1-ol is sourced from PubChem (CID 134848997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).