1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

C19H23N3O3 — CID 9130212

IUPAC1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-18-8-6-16(7-9-18)14-20-10-12-21(13-11-20)15-17-4-2-3-5-19(17)22(23)24/h2-9H,10-15H2,1H3
InChIKeyDCPVIKGSMYTDHZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.92
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine (PubChem CID 9130212) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
PubChem CID9130212
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-18-8-6-16(7-9-18)14-20-10-12-21(13-11-20)15-17-4-2-3-5-19(17)22(23)24/h2-9H,10-15H2,1H3
InChIKeyDCPVIKGSMYTDHZ-UHFFFAOYSA-N
XLogP2.92
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazine
CID 1122437
1-(3-methoxyphenyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 782035
2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 90483640
1-benzyl-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine
CID 1376883
4-methoxy-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46158972
2-[2-[4-[(5-methoxy-2-nitrophenyl)methyl]piperazin-1-yl]ethyl]phenol
CID 141062176
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine
CID 1358710
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933
4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
CID 174618434
(E)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one
CID 35272863

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine (CID 9130212) is 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine?
The InChIKey is DCPVIKGSMYTDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-18-8-6-16(7-9-18)14-20-10-12-21(13-11-20)15-17-4-2-3-5-19(17)22(23)24/h2-9H,10-15H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine?
1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine has a molecular weight of 341.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine is sourced from PubChem (CID 9130212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).