N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline

C19H25N3O — CID 11594764

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline
SMILESCOc1ccc(C(C)Nc2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C19H25N3O/c1-15(16-6-8-19(23-2)9-7-16)21-17-4-3-5-18(14-17)22-12-10-20-11-13-22/h3-9,14-15,20-21H,10-13H2,1-2H3
InChIKeyNDVAXNZPFCLFLS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline

N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline (PubChem CID 11594764) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline
PubChem CID11594764
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline
SMILESCOc1ccc(C(C)Nc2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C19H25N3O/c1-15(16-6-8-19(23-2)9-7-16)21-17-4-3-5-18(14-17)22-12-10-20-11-13-22/h3-9,14-15,20-21H,10-13H2,1-2H3
InChIKeyNDVAXNZPFCLFLS-UHFFFAOYSA-N
XLogP3.28
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
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[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
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1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
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1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
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N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-morpholin-4-ylaniline
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N-[1-(4-methoxyphenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline (CID 11594764) is N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline is COc1ccc(C(C)Nc2cccc(N3CCNCC3)c2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline?
The InChIKey is NDVAXNZPFCLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(16-6-8-19(23-2)9-7-16)21-17-4-3-5-18(14-17)22-12-10-20-11-13-22/h3-9,14-15,20-21H,10-13H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline?
N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline has a molecular weight of 311.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-piperazin-1-ylaniline is sourced from PubChem (CID 11594764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).