3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline

C17H22N4 — CID 63262779

IUPAC3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
SMILESNc1cccc(N2CCN(CCc3cccnc3)CC2)c1
InChIInChI=1S/C17H22N4/c18-16-4-1-5-17(13-16)21-11-9-20(10-12-21)8-6-15-3-2-7-19-14-15/h1-5,7,13-14H,6,8-12,18H2
InChIKeyRWNMLNBAVQPDDA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.03
Rot. Bonds4

About 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline

3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline (PubChem CID 63262779) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
PubChem CID63262779
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
SMILESNc1cccc(N2CCN(CCc3cccnc3)CC2)c1
InChIInChI=1S/C17H22N4/c18-16-4-1-5-17(13-16)21-11-9-20(10-12-21)8-6-15-3-2-7-19-14-15/h1-5,7,13-14H,6,8-12,18H2
InChIKeyRWNMLNBAVQPDDA-UHFFFAOYSA-N
XLogP2.03
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
4-[4-[2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]aniline
CID 172594310
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
CID 77011852
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816
1-(4-fluorophenyl)-4-(3-pyridin-3-ylpropyl)-1,4-diazepane
CID 171906407
[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
CID 114284152

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline?
The IUPAC name of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline (CID 63262779) is 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline.
What is the SMILES notation for 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline?
The canonical SMILES for 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline is Nc1cccc(N2CCN(CCc3cccnc3)CC2)c1.
What is the InChIKey of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline?
The InChIKey is RWNMLNBAVQPDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-16-4-1-5-17(13-16)21-11-9-20(10-12-21)8-6-15-3-2-7-19-14-15/h1-5,7,13-14H,6,8-12,18H2.
What are the key properties of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline?
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline has a molecular weight of 282.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 63262779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).