1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol

C14H23N3O — CID 71976610

IUPAC1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol
SMILESCC1CCN(CC(O)CNc2ccccn2)CC1
InChIInChI=1S/C14H23N3O/c1-12-5-8-17(9-6-12)11-13(18)10-16-14-4-2-3-7-15-14/h2-4,7,12-13,18H,5-6,8-11H2,1H3,(H,15,16)
InChIKeyNXGWDFVLZOELLF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.59
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol

1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol (PubChem CID 71976610) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol
PubChem CID71976610
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol
SMILESCC1CCN(CC(O)CNc2ccccn2)CC1
InChIInChI=1S/C14H23N3O/c1-12-5-8-17(9-6-12)11-13(18)10-16-14-4-2-3-7-15-14/h2-4,7,12-13,18H,5-6,8-11H2,1H3,(H,15,16)
InChIKeyNXGWDFVLZOELLF-UHFFFAOYSA-N
XLogP1.59
TPSA48.39 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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol (CID 71976610) is 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol is CC1CCN(CC(O)CNc2ccccn2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol?
The InChIKey is NXGWDFVLZOELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-5-8-17(9-6-12)11-13(18)10-16-14-4-2-3-7-15-14/h2-4,7,12-13,18H,5-6,8-11H2,1H3,(H,15,16).
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylamino)propan-2-ol is sourced from PubChem (CID 71976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).