2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine

C19H26N4O — CID 172594232

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOc1ccc(N2CCN(CCNCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H26N4O/c1-24-19-7-5-18(6-8-19)23-14-12-22(13-15-23)11-10-20-16-17-4-2-3-9-21-17/h2-9,20H,10-16H2,1H3
InChIKeyGTWQUUGIHYEHTE-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.00
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 172594232) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID172594232
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOc1ccc(N2CCN(CCNCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H26N4O/c1-24-19-7-5-18(6-8-19)23-14-12-22(13-15-23)11-10-20-16-17-4-2-3-9-21-17/h2-9,20H,10-16H2,1H3
InChIKeyGTWQUUGIHYEHTE-UHFFFAOYSA-N
XLogP2.00
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine;prop-1-ene
CID 172594231
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258
2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 142679571
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine (CID 172594232) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine is COc1ccc(N2CCN(CCNCc3ccccn3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is GTWQUUGIHYEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-24-19-7-5-18(6-8-19)23-14-12-22(13-15-23)11-10-20-16-17-4-2-3-9-21-17/h2-9,20H,10-16H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 326.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 172594232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).