[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol

C12H24N2O — CID 117270553

IUPAC[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCN1CCCC1CC1CNC(CO)C1
InChIInChI=1S/C12H24N2O/c1-2-14-5-3-4-12(14)7-10-6-11(9-15)13-8-10/h10-13,15H,2-9H2,1H3
InChIKeyJPONLHAXVOKPIC-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds4

About [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol

[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 117270553) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID117270553
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCCN1CCCC1CC1CNC(CO)C1
InChIInChI=1S/C12H24N2O/c1-2-14-5-3-4-12(14)7-10-6-11(9-15)13-8-10/h10-13,15H,2-9H2,1H3
InChIKeyJPONLHAXVOKPIC-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 117270553) is [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol is CCN1CCCC1CC1CNC(CO)C1.
What is the InChIKey of [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is JPONLHAXVOKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-14-5-3-4-12(14)7-10-6-11(9-15)13-8-10/h10-13,15H,2-9H2,1H3.
What are the key properties of [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol?
[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).