5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol

C19H25N3O — CID 171541808

IUPAC5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(C3CCCC3)CC2)c2cccnc12
InChIInChI=1S/C19H25N3O/c23-18-8-7-15(17-6-3-9-20-19(17)18)14-21-10-12-22(13-11-21)16-4-1-2-5-16/h3,6-9,16,23H,1-2,4-5,10-14H2
InChIKeyJDULLFQWXKFPGT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.00
Rot. Bonds3

About 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol

5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 171541808) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID171541808
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(C3CCCC3)CC2)c2cccnc12
InChIInChI=1S/C19H25N3O/c23-18-8-7-15(17-6-3-9-20-19(17)18)14-21-10-12-22(13-11-21)16-4-1-2-5-16/h3,6-9,16,23H,1-2,4-5,10-14H2
InChIKeyJDULLFQWXKFPGT-UHFFFAOYSA-N
XLogP3.00
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093
(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 71515448
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 171541715
4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 773084
ethyl (3S)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidine-3-carboxylate
CID 698137
7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852939
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol (CID 171541808) is 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol is Oc1ccc(CN2CCN(C3CCCC3)CC2)c2cccnc12.
What is the InChIKey of 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is JDULLFQWXKFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-18-8-7-15(17-6-3-9-20-19(17)18)14-21-10-12-22(13-11-21)16-4-1-2-5-16/h3,6-9,16,23H,1-2,4-5,10-14H2.
What are the key properties of 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol?
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 311.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 171541808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).