1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol

C15H18ClN3O — CID 166260412

IUPAC1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CN(c2cc(Cl)c3cccnc3n2)CCC1O
InChIInChI=1S/C15H18ClN3O/c1-15(2)9-19(7-5-12(15)20)13-8-11(16)10-4-3-6-17-14(10)18-13/h3-4,6,8,12,20H,5,7,9H2,1-2H3
InChIKeyOHTPHFAQEXYEID-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.88
Rot. Bonds1

About 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol

1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol (PubChem CID 166260412) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol
PubChem CID166260412
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CN(c2cc(Cl)c3cccnc3n2)CCC1O
InChIInChI=1S/C15H18ClN3O/c1-15(2)9-19(7-5-12(15)20)13-8-11(16)10-4-3-6-17-14(10)18-13/h3-4,6,8,12,20H,5,7,9H2,1-2H3
InChIKeyOHTPHFAQEXYEID-UHFFFAOYSA-N
XLogP2.88
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol (CID 166260412) is 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol is CC1(C)CN(c2cc(Cl)c3cccnc3n2)CCC1O.
What is the InChIKey of 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is OHTPHFAQEXYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-15(2)9-19(7-5-12(15)20)13-8-11(16)10-4-3-6-17-14(10)18-13/h3-4,6,8,12,20H,5,7,9H2,1-2H3.
What are the key properties of 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol?
1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 291.78 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 166260412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).