[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol

C13H21N3O — CID 112626014

IUPAC[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCNC(C)c1ccnc(N2CCC(CO)C2)c1
InChIInChI=1S/C13H21N3O/c1-10(14-2)12-3-5-15-13(7-12)16-6-4-11(8-16)9-17/h3,5,7,10-11,14,17H,4,6,8-9H2,1-2H3
InChIKeyNRVPRLBOSPEURW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.18
Rot. Bonds4

About [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol

[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol (PubChem CID 112626014) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
PubChem CID112626014
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
SMILESCNC(C)c1ccnc(N2CCC(CO)C2)c1
InChIInChI=1S/C13H21N3O/c1-10(14-2)12-3-5-15-13(7-12)16-6-4-11(8-16)9-17/h3,5,7,10-11,14,17H,4,6,8-9H2,1-2H3
InChIKeyNRVPRLBOSPEURW-UHFFFAOYSA-N
XLogP1.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol (CID 112626014) is [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol is CNC(C)c1ccnc(N2CCC(CO)C2)c1.
What is the InChIKey of [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
The InChIKey is NRVPRLBOSPEURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14-2)12-3-5-15-13(7-12)16-6-4-11(8-16)9-17/h3,5,7,10-11,14,17H,4,6,8-9H2,1-2H3.
What are the key properties of [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol?
[1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112626014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).