N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

C19H26N4 — CID 174676265

IUPACN-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H26N4/c1-2-20-15-17-6-8-18(9-7-17)16-22-11-13-23(14-12-22)19-5-3-4-10-21-19/h3-10,20H,2,11-16H2,1H3
InChIKeyGRMNKJMEPXXJJB-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.51
Rot. Bonds6

About N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 174676265) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID174676265
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H26N4/c1-2-20-15-17-6-8-18(9-7-17)16-22-11-13-23(14-12-22)19-5-3-4-10-21-19/h3-10,20H,2,11-16H2,1H3
InChIKeyGRMNKJMEPXXJJB-UHFFFAOYSA-N
XLogP2.51
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902638
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119438834
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221006

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (CID 174676265) is N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is GRMNKJMEPXXJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-20-15-17-6-8-18(9-7-17)16-22-11-13-23(14-12-22)19-5-3-4-10-21-19/h3-10,20H,2,11-16H2,1H3.
What are the key properties of N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 310.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 174676265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).