3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol

C14H23N3O — CID 83122786

IUPAC3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
SMILESC[C@@H](N)c1ccc(N2CCCC2CCCO)cn1
InChIInChI=1S/C14H23N3O/c1-11(15)14-7-6-13(10-16-14)17-8-2-4-12(17)5-3-9-18/h6-7,10-12,18H,2-5,8-9,15H2,1H3/t11-,12?/m1/s1
InChIKeyIMHAQFARHBQZTF-JHJMLUEUSA-N
MW249.36 g/mol
LogP1.84
Rot. Bonds5

About 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 83122786) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID83122786
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
SMILESC[C@@H](N)c1ccc(N2CCCC2CCCO)cn1
InChIInChI=1S/C14H23N3O/c1-11(15)14-7-6-13(10-16-14)17-8-2-4-12(17)5-3-9-18/h6-7,10-12,18H,2-5,8-9,15H2,1H3/t11-,12?/m1/s1
InChIKeyIMHAQFARHBQZTF-JHJMLUEUSA-N
XLogP1.84
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol (CID 83122786) is 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol is C[C@@H](N)c1ccc(N2CCCC2CCCO)cn1.
What is the InChIKey of 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is IMHAQFARHBQZTF-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(15)14-7-6-13(10-16-14)17-8-2-4-12(17)5-3-9-18/h6-7,10-12,18H,2-5,8-9,15H2,1H3/t11-,12?/m1/s1.
What are the key properties of 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 83122786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).