1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol

C20H26ClN3O — CID 72881123

IUPAC1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCc1cc(Cl)cc2c(N3CCC(N4CCC(O)CC4)CC3)ccnc12
InChIInChI=1S/C20H26ClN3O/c1-14-12-15(21)13-18-19(2-7-22-20(14)18)24-8-3-16(4-9-24)23-10-5-17(25)6-11-23/h2,7,12-13,16-17,25H,3-6,8-11H2,1H3
InChIKeyJAMAZQIDEVJLIA-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.62
Rot. Bonds2

About 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol

1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol (PubChem CID 72881123) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol
PubChem CID72881123
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCc1cc(Cl)cc2c(N3CCC(N4CCC(O)CC4)CC3)ccnc12
InChIInChI=1S/C20H26ClN3O/c1-14-12-15(21)13-18-19(2-7-22-20(14)18)24-8-3-16(4-9-24)23-10-5-17(25)6-11-23/h2,7,12-13,16-17,25H,3-6,8-11H2,1H3
InChIKeyJAMAZQIDEVJLIA-UHFFFAOYSA-N
XLogP3.62
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol (CID 72881123) is 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol is Cc1cc(Cl)cc2c(N3CCC(N4CCC(O)CC4)CC3)ccnc12.
What is the InChIKey of 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
The InChIKey is JAMAZQIDEVJLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-14-12-15(21)13-18-19(2-7-22-20(14)18)24-8-3-16(4-9-24)23-10-5-17(25)6-11-23/h2,7,12-13,16-17,25H,3-6,8-11H2,1H3.
What are the key properties of 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol has a molecular weight of 359.90 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72881123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).