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

C15H23NO — CID 3864788

IUPAC[1-(3-phenylbutyl)pyrrolidin-2-yl]methanol
SMILESCC(CCN1CCCC1CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(14-6-3-2-4-7-14)9-11-16-10-5-8-15(16)12-17/h2-4,6-7,13,15,17H,5,8-12H2,1H3
InChIKeyZWAOPSWRRKHRKN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.64
Rot. Bonds5

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

[1-(3-phenylbutyl)pyrrolidin-2-yl]methanol (PubChem CID 3864788) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-phenylbutyl)pyrrolidin-2-yl]methanol
PubChem CID3864788
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[1-(3-phenylbutyl)pyrrolidin-2-yl]methanol
SMILESCC(CCN1CCCC1CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(14-6-3-2-4-7-14)9-11-16-10-5-8-15(16)12-17/h2-4,6-7,13,15,17H,5,8-12H2,1H3
InChIKeyZWAOPSWRRKHRKN-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol (CID 3864788) is [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol is CC(CCN1CCCC1CO)c1ccccc1.
What is the InChIKey of [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol?
The InChIKey is ZWAOPSWRRKHRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(14-6-3-2-4-7-14)9-11-16-10-5-8-15(16)12-17/h2-4,6-7,13,15,17H,5,8-12H2,1H3.
What are the key properties of [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol?
[1-(3-phenylbutyl)pyrrolidin-2-yl]methanol has a molecular weight of 233.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylbutyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 3864788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).