N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline

C17H22N4 — CID 60860602

IUPACN-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
SMILESc1ccc(NCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H22N4/c1-2-6-16(7-3-1)18-10-11-20-12-14-21(15-13-20)17-8-4-5-9-19-17/h1-9,18H,10-15H2
InChIKeyBYHQHJBEEQUTCB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline

N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 60860602) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
PubChem CID60860602
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
SMILESc1ccc(NCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C17H22N4/c1-2-6-16(7-3-1)18-10-11-20-12-14-21(15-13-20)17-8-4-5-9-19-17/h1-9,18H,10-15H2
InChIKeyBYHQHJBEEQUTCB-UHFFFAOYSA-N
XLogP2.32
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,2-benzodioxol-6-amine
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1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
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4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
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N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 62573579
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
CID 62625122
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
CID 91224251
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CID 112898748

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline (CID 60860602) is N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline is c1ccc(NCCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is BYHQHJBEEQUTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-6-16(7-3-1)18-10-11-20-12-14-21(15-13-20)17-8-4-5-9-19-17/h1-9,18H,10-15H2.
What are the key properties of N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline?
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 282.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 60860602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).