2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol

C14H21NO — CID 10554200

IUPAC2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyFUNFYSOGTPDVRK-ZDUSSCGKSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol (PubChem CID 10554200) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol
PubChem CID10554200
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyFUNFYSOGTPDVRK-ZDUSSCGKSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol (CID 10554200) is 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol is CC(C)(O)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol?
The InChIKey is FUNFYSOGTPDVRK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,16H,6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzylpyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 10554200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).