6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline

C19H23N3 — CID 167250548

IUPAC6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(N2CCNC(c3ccc4c(c3)CCCN4)C2)cc1
InChIInChI=1S/C19H23N3/c1-2-6-17(7-3-1)22-12-11-21-19(14-22)16-8-9-18-15(13-16)5-4-10-20-18/h1-3,6-9,13,19-21H,4-5,10-12,14H2
InChIKeyDCYJRLYRNGKZNI-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.20
Rot. Bonds2

About 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline

6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 167250548) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID167250548
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(N2CCNC(c3ccc4c(c3)CCCN4)C2)cc1
InChIInChI=1S/C19H23N3/c1-2-6-17(7-3-1)22-12-11-21-19(14-22)16-8-9-18-15(13-16)5-4-10-20-18/h1-3,6-9,13,19-21H,4-5,10-12,14H2
InChIKeyDCYJRLYRNGKZNI-UHFFFAOYSA-N
XLogP3.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-phenylpiperazine
CID 68577139
1,3-diphenyl-1,4-diazepane
CID 64944093
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
5-(aziridin-2-yl)-2,3-dihydro-1H-indole
CID 88562655
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
CID 115379314
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
1-(3-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944303
6-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2,3-dihydro-1H-indol-2-yl]-1,2,3,4-tetrahydroquinoline
CID 130296443
6-piperidin-3-yl-1,2,3,4-tetrahydroquinoline
CID 83392528
1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
CID 64924639
1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64943123

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline (CID 167250548) is 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline is c1ccc(N2CCNC(c3ccc4c(c3)CCCN4)C2)cc1.
What is the InChIKey of 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DCYJRLYRNGKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-6-17(7-3-1)22-12-11-21-19(14-22)16-8-9-18-15(13-16)5-4-10-20-18/h1-3,6-9,13,19-21H,4-5,10-12,14H2.
What are the key properties of 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 293.41 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 167250548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).