[1-(2-phenylethyl)pyrrolidin-3-yl]methanol

C13H19NO — CID 22243246

IUPAC[1-(2-phenylethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-11-13-7-9-14(10-13)8-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKeyGULYBIGMHOEZOG-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.54
Rot. Bonds4

About [1-(2-phenylethyl)pyrrolidin-3-yl]methanol

[1-(2-phenylethyl)pyrrolidin-3-yl]methanol (PubChem CID 22243246) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [1-(2-phenylethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-phenylethyl)pyrrolidin-3-yl]methanol
PubChem CID22243246
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[1-(2-phenylethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C13H19NO/c15-11-13-7-9-14(10-13)8-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKeyGULYBIGMHOEZOG-UHFFFAOYSA-N
XLogP1.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-phenylethyl)pyrrolidin-3-yl]methanol (CID 22243246) is [1-(2-phenylethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-phenylethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-phenylethyl)pyrrolidin-3-yl]methanol is OCC1CCN(CCc2ccccc2)C1.
What is the InChIKey of [1-(2-phenylethyl)pyrrolidin-3-yl]methanol?
The InChIKey is GULYBIGMHOEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-11-13-7-9-14(10-13)8-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2.
What are the key properties of [1-(2-phenylethyl)pyrrolidin-3-yl]methanol?
[1-(2-phenylethyl)pyrrolidin-3-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 22243246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).