(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol

C22H33N3O2 — CID 20805672

IUPAC(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCCCCCCN1CCN(C[C@H](O)c2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C22H33N3O2/c1-3-4-5-6-11-24-12-14-25(15-13-24)17-22(26)19-9-10-23-21-8-7-18(27-2)16-20(19)21/h7-10,16,22,26H,3-6,11-15,17H2,1-2H3/t22-/m0/s1
InChIKeySHQLAWWLZMFBNT-QFIPXVFZSA-N
MW371.53 g/mol
LogP3.47
Rot. Bonds9

About (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol

(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol (PubChem CID 20805672) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
PubChem CID20805672
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
SMILESCCCCCCN1CCN(C[C@H](O)c2ccnc3ccc(OC)cc23)CC1
InChIInChI=1S/C22H33N3O2/c1-3-4-5-6-11-24-12-14-25(15-13-24)17-22(26)19-9-10-23-21-8-7-18(27-2)16-20(19)21/h7-10,16,22,26H,3-6,11-15,17H2,1-2H3/t22-/m0/s1
InChIKeySHQLAWWLZMFBNT-QFIPXVFZSA-N
XLogP3.47
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
CID 22386516
2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol
CID 22255916
methyl 2-[4-heptyl-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-2-yl]acetate
CID 22386513
2-[(3R,4R)-1-heptyl-4-[(3R)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetonitrile
CID 57230362
(1S)-1-(6-methoxyquinolin-4-yl)-2-[4-(4-phenylbutyl)piperazin-1-yl]ethanamine
CID 10180321
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one
CID 10113607
(3S,4R)-1-heptyl-4-[[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]amino]piperidine-3-carboxylic acid;tris(2,2,2-trifluoroacetic acid)
CID 173255851
2-[5-(hydroxymethyl)-1,4-diazocan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 142884528
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one;oxalic acid
CID 131737682
2-[4-(hexylamino)piperidin-1-yl]-1-(6-methylquinolin-4-yl)ethanol
CID 142040527
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
(3R,4R)-1-(2-butylsulfanylethyl)-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 70176948

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol?
The IUPAC name of (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol (CID 20805672) is (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol.
What is the SMILES notation for (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol?
The canonical SMILES for (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol is CCCCCCN1CCN(C[C@H](O)c2ccnc3ccc(OC)cc23)CC1.
What is the InChIKey of (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol?
The InChIKey is SHQLAWWLZMFBNT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-4-5-6-11-24-12-14-25(15-13-24)17-22(26)19-9-10-23-21-8-7-18(27-2)16-20(19)21/h7-10,16,22,26H,3-6,11-15,17H2,1-2H3/t22-/m0/s1.
What are the key properties of (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol?
(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol has a molecular weight of 371.53 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol is sourced from PubChem (CID 20805672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).