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

C21H28N2O2 — CID 21472218

IUPAC1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
SMILESCOc1ccc(CN2CCN(CC(C)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-18(25-21-6-4-3-5-7-21)16-22-12-14-23(15-13-22)17-19-8-10-20(24-2)11-9-19/h3-11,18H,12-17H2,1-2H3
InChIKeyDWIHPZWQVMSPJA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.28
Rot. Bonds7

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

1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine (PubChem CID 21472218) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
PubChem CID21472218
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
SMILESCOc1ccc(CN2CCN(CC(C)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O2/c1-18(25-21-6-4-3-5-7-21)16-22-12-14-23(15-13-22)17-19-8-10-20(24-2)11-9-19/h3-11,18H,12-17H2,1-2H3
InChIKeyDWIHPZWQVMSPJA-UHFFFAOYSA-N
XLogP3.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(2-phenoxypropyl)piperazin-1-yl]methyl]benzoate
CID 54506508
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(2S)-1-[4-[(2S)-2-hydroxypropyl]-7-[(4-methoxyphenyl)methyl]-1,4,7-triazonan-1-yl]propan-2-olate;iron(4+);hydrate
CID 153461661
(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propan-1-amine
CID 125161827
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42166391
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 150931787

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine (CID 21472218) is 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine is COc1ccc(CN2CCN(CC(C)Oc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine?
The InChIKey is DWIHPZWQVMSPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-18(25-21-6-4-3-5-7-21)16-22-12-14-23(15-13-22)17-19-8-10-20(24-2)11-9-19/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine?
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine has a molecular weight of 340.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine is sourced from PubChem (CID 21472218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).