(1-benzylpyrrolidin-2-yl)methanol

C12H17NO — CID 562951

IUPAC(1-benzylpyrrolidin-2-yl)methanol
SMILESOCC1CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyZAIQBJPTOXDDKA-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds3

About (1-benzylpyrrolidin-2-yl)methanol

(1-benzylpyrrolidin-2-yl)methanol (PubChem CID 562951) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)methanol
PubChem CID562951
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1-benzylpyrrolidin-2-yl)methanol
SMILESOCC1CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyZAIQBJPTOXDDKA-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-benzylpyrrolidin-2-yl)methanol (CID 562951) is (1-benzylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)methanol is OCC1CCCN1Cc1ccccc1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)methanol?
The InChIKey is ZAIQBJPTOXDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2.
What are the key properties of (1-benzylpyrrolidin-2-yl)methanol?
(1-benzylpyrrolidin-2-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 562951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).