[3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine

C22H26N4 — CID 151351906

IUPAC[3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine
SMILESNCc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C22H26N4/c23-17-18-4-3-6-21(16-18)26-14-12-25(13-15-26)11-10-20-9-8-19-5-1-2-7-22(19)24-20/h1-9,16H,10-15,17,23H2
InChIKeyOMQRCDXMZRMQTM-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.06
Rot. Bonds5

About [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine

[3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine (PubChem CID 151351906) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine
PubChem CID151351906
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name[3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine
SMILESNCc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C22H26N4/c23-17-18-4-3-6-21(16-18)26-14-12-25(13-15-26)11-10-20-9-8-19-5-1-2-7-22(19)24-20/h1-9,16H,10-15,17,23H2
InChIKeyOMQRCDXMZRMQTM-UHFFFAOYSA-N
XLogP3.06
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]quinoline
CID 3044980
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
2-[[4-(2-chloroethyl)piperazin-1-yl]methyl]quinoline
CID 63386827
3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174378709
2-[2-(3-methylphenyl)ethyl]quinoline
CID 71620221
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine?
The IUPAC name of [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine (CID 151351906) is [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine is NCc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1.
What is the InChIKey of [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine?
The InChIKey is OMQRCDXMZRMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c23-17-18-4-3-6-21(16-18)26-14-12-25(13-15-26)11-10-20-9-8-19-5-1-2-7-22(19)24-20/h1-9,16H,10-15,17,23H2.
What are the key properties of [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine?
[3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine has a molecular weight of 346.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 151351906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).