(1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol

C16H25NO2 — CID 122144167

IUPAC(1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol
SMILESCCCC1(CO)CCCN1C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-9-16(13-18)10-6-11-17(16)12-15(19)14-7-4-3-5-8-14/h3-5,7-8,15,18-19H,2,6,9-13H2,1H3/t15-,16?/m1/s1
InChIKeyZSPCMFZFQOIBNC-AAFJCEBUSA-N
MW263.38 g/mol
LogP2.35
Rot. Bonds6

About (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol

(1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol (PubChem CID 122144167) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol
PubChem CID122144167
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol
SMILESCCCC1(CO)CCCN1C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-9-16(13-18)10-6-11-17(16)12-15(19)14-7-4-3-5-8-14/h3-5,7-8,15,18-19H,2,6,9-13H2,1H3/t15-,16?/m1/s1
InChIKeyZSPCMFZFQOIBNC-AAFJCEBUSA-N
XLogP2.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol (CID 122144167) is (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol is CCCC1(CO)CCCN1C[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol?
The InChIKey is ZSPCMFZFQOIBNC-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-9-16(13-18)10-6-11-17(16)12-15(19)14-7-4-3-5-8-14/h3-5,7-8,15,18-19H,2,6,9-13H2,1H3/t15-,16?/m1/s1.
What are the key properties of (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol?
(1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol has a molecular weight of 263.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 122144167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).