N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline

C18H24N4 — CID 120756006

IUPACN-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
SMILESCN(CCN1CCNCC1c1cccnc1)c1ccccc1
InChIInChI=1S/C18H24N4/c1-21(17-7-3-2-4-8-17)12-13-22-11-10-20-15-18(22)16-6-5-9-19-14-16/h2-9,14,18,20H,10-13,15H2,1H3
InChIKeyPPJAZUVTIVJYHC-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline

N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 120756006) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
PubChem CID120756006
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
SMILESCN(CCN1CCNCC1c1cccnc1)c1ccccc1
InChIInChI=1S/C18H24N4/c1-21(17-7-3-2-4-8-17)12-13-22-11-10-20-15-18(22)16-6-5-9-19-14-16/h2-9,14,18,20H,10-13,15H2,1H3
InChIKeyPPJAZUVTIVJYHC-UHFFFAOYSA-N
XLogP2.16
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
CID 120755914
1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754776
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline (CID 120756006) is N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline is CN(CCN1CCNCC1c1cccnc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is PPJAZUVTIVJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-21(17-7-3-2-4-8-17)12-13-22-11-10-20-15-18(22)16-6-5-9-19-14-16/h2-9,14,18,20H,10-13,15H2,1H3.
What are the key properties of N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline?
N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 296.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 120756006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).