8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline

C26H25N3 — CID 91803359

IUPAC8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
SMILESc1ccc(-c2ccccc2-c2cccc3cccnc23)c(CN2CCNCC2)c1
InChIInChI=1S/C26H25N3/c1-2-10-22(21(7-1)19-29-17-15-27-16-18-29)23-11-3-4-12-24(23)25-13-5-8-20-9-6-14-28-26(20)25/h1-14,27H,15-19H2
InChIKeyFHPVYBHGWLALJH-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.97
Rot. Bonds4

About 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline

8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline (PubChem CID 91803359) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
PubChem CID91803359
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
SMILESc1ccc(-c2ccccc2-c2cccc3cccnc23)c(CN2CCNCC2)c1
InChIInChI=1S/C26H25N3/c1-2-10-22(21(7-1)19-29-17-15-27-16-18-29)23-11-3-4-12-24(23)25-13-5-8-20-9-6-14-28-26(20)25/h1-14,27H,15-19H2
InChIKeyFHPVYBHGWLALJH-UHFFFAOYSA-N
XLogP4.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
N-[(2-quinolin-8-ylphenyl)methyl]ethanamine
CID 81224519
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
8-(2-piperazin-1-ylethoxy)quinoline
CID 24849055
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline?
The IUPAC name of 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline (CID 91803359) is 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline?
The canonical SMILES for 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline is c1ccc(-c2ccccc2-c2cccc3cccnc23)c(CN2CCNCC2)c1.
What is the InChIKey of 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline?
The InChIKey is FHPVYBHGWLALJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-2-10-22(21(7-1)19-29-17-15-27-16-18-29)23-11-3-4-12-24(23)25-13-5-8-20-9-6-14-28-26(20)25/h1-14,27H,15-19H2.
What are the key properties of 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline?
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline has a molecular weight of 379.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 91803359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).