2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol

C21H29N3O — CID 5307341

IUPAC2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol
SMILESCc1cc(N2CCC(N(C)C3CCCC3)CC2)nc2cc(O)ccc12
InChIInChI=1S/C21H29N3O/c1-15-13-21(22-20-14-18(25)7-8-19(15)20)24-11-9-17(10-12-24)23(2)16-5-3-4-6-16/h7-8,13-14,16-17,25H,3-6,9-12H2,1-2H3
InChIKeyZBEYYYXTWXCHPH-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.09
Rot. Bonds3

About 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol

2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol (PubChem CID 5307341) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol.

Molecular Properties

Compound Name2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol
PubChem CID5307341
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol
SMILESCc1cc(N2CCC(N(C)C3CCCC3)CC2)nc2cc(O)ccc12
InChIInChI=1S/C21H29N3O/c1-15-13-21(22-20-14-18(25)7-8-19(15)20)24-11-9-17(10-12-24)23(2)16-5-3-4-6-16/h7-8,13-14,16-17,25H,3-6,9-12H2,1-2H3
InChIKeyZBEYYYXTWXCHPH-UHFFFAOYSA-N
XLogP4.09
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol?
The IUPAC name of 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol (CID 5307341) is 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol.
What is the SMILES notation for 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol?
The canonical SMILES for 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol is Cc1cc(N2CCC(N(C)C3CCCC3)CC2)nc2cc(O)ccc12.
What is the InChIKey of 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol?
The InChIKey is ZBEYYYXTWXCHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-13-21(22-20-14-18(25)7-8-19(15)20)24-11-9-17(10-12-24)23(2)16-5-3-4-6-16/h7-8,13-14,16-17,25H,3-6,9-12H2,1-2H3.
What are the key properties of 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol?
2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol has a molecular weight of 339.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol is sourced from PubChem (CID 5307341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).