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

C19H22ClN3O — CID 46228437

IUPAC(8S)-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-/m0/s1
InChIKeyHNSZXWWGMZAANA-KRWDZBQOSA-N
MW343.86 g/mol
LogP3.60
Rot. Bonds3

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

(8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 46228437) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline
PubChem CID46228437
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name(8S)-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-/m0/s1
InChIKeyHNSZXWWGMZAANA-KRWDZBQOSA-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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Related Compounds

CID 11949712
CID 11949712
CID 46228425
CID 46228425
CID 46228438
CID 46228438
CID 44393362
CID 44393362
CID 46228422
CID 46228422
CID 46228430
CID 46228430
CID 137655395
CID 137655395
CID 162441474
CID 162441474
CID 16812613
CID 16812613
CID 16812632
CID 16812632
CID 16896806
CID 16896806
CID 18570705
CID 18570705

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline (CID 46228437) is (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline is Clc1ccccc1O[C@H]1CCCc2ccc(N3CCNCC3)nc21.
What is the InChIKey of (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is HNSZXWWGMZAANA-KRWDZBQOSA-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-/m0/s1.
What are the key properties of (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
(8S)-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 (8S)-8-(2-chlorophenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 46228437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).