(1-benzylpyrrolidin-3-yl)methanol

C12H17NO — CID 5176654

IUPAC(1-benzylpyrrolidin-3-yl)methanol
SMILESOCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyQPQQBJDSKDWQMJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.50
Rot. Bonds3

About (1-benzylpyrrolidin-3-yl)methanol

(1-benzylpyrrolidin-3-yl)methanol (PubChem CID 5176654) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl)methanol
PubChem CID5176654
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1-benzylpyrrolidin-3-yl)methanol
SMILESOCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyQPQQBJDSKDWQMJ-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-benzylpyrrolidin-3-yl)methanol (CID 5176654) is (1-benzylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-benzylpyrrolidin-3-yl)methanol is OCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl)methanol?
The InChIKey is QPQQBJDSKDWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2.
What are the key properties of (1-benzylpyrrolidin-3-yl)methanol?
(1-benzylpyrrolidin-3-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 5176654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).