1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol

C14H21NO2 — CID 15117317

IUPAC1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1C[C@@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-11(17)13-7-14(10-16)15(9-13)8-12-5-3-2-4-6-12/h2-6,11,13-14,16-17H,7-10H2,1H3/t11?,13?,14-/m0/s1
InChIKeyUTNATKXDNMZRLX-UBHUBRDASA-N
MW235.33 g/mol
LogP1.25
Rot. Bonds4

About 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol

1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol (PubChem CID 15117317) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol
PubChem CID15117317
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1C[C@@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-11(17)13-7-14(10-16)15(9-13)8-12-5-3-2-4-6-12/h2-6,11,13-14,16-17H,7-10H2,1H3/t11?,13?,14-/m0/s1
InChIKeyUTNATKXDNMZRLX-UBHUBRDASA-N
XLogP1.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol (CID 15117317) is 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol is CC(O)C1C[C@@H](CO)N(Cc2ccccc2)C1.
What is the InChIKey of 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is UTNATKXDNMZRLX-UBHUBRDASA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(17)13-7-14(10-16)15(9-13)8-12-5-3-2-4-6-12/h2-6,11,13-14,16-17H,7-10H2,1H3/t11?,13?,14-/m0/s1.
What are the key properties of 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol?
1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 15117317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).