3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol

C15H25N3O — CID 83122531

IUPAC3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNC(C)c1ccc(N2CCCC2CCCO)cn1
InChIInChI=1S/C15H25N3O/c1-12(16-2)15-8-7-14(11-17-15)18-9-3-5-13(18)6-4-10-19/h7-8,11-13,16,19H,3-6,9-10H2,1-2H3
InChIKeyKBXXWRLGLYZKEA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.10
Rot. Bonds6

About 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 83122531) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID83122531
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
SMILESCNC(C)c1ccc(N2CCCC2CCCO)cn1
InChIInChI=1S/C15H25N3O/c1-12(16-2)15-8-7-14(11-17-15)18-9-3-5-13(18)6-4-10-19/h7-8,11-13,16,19H,3-6,9-10H2,1-2H3
InChIKeyKBXXWRLGLYZKEA-UHFFFAOYSA-N
XLogP2.10
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol (CID 83122531) is 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol is CNC(C)c1ccc(N2CCCC2CCCO)cn1.
What is the InChIKey of 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is KBXXWRLGLYZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(16-2)15-8-7-14(11-17-15)18-9-3-5-13(18)6-4-10-19/h7-8,11-13,16,19H,3-6,9-10H2,1-2H3.
What are the key properties of 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 83122531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).