(8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline

C19H22ClN3O — CID 46228430

IUPAC(8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline
SMILESClc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21
InChIInChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1
InChIKeyHNSZXWWGMZAANA-QGZVFWFLSA-N
MW343.86 g/mol
LogP3.60
Rot. Bonds3

About (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline

(8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 46228430) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline
PubChem CID46228430
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name(8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline
SMILESClc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21
InChIInChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1
InChIKeyHNSZXWWGMZAANA-QGZVFWFLSA-N
XLogP3.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline (CID 46228430) is (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline is Clc1ccccc1O[C@@H]1CCCc2ccc(N3CCNCC3)nc21.
What is the InChIKey of (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is HNSZXWWGMZAANA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1.
What are the key properties of (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
(8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 343.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 46228430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).