1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid

C17H26N2O5 — CID 17366637

IUPAC1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(C(C)C)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;3-1(4)2(5)6/h4-6,11,13H,7-10,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUSUSZEPWRZRZLV-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.38
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid

1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid (PubChem CID 17366637) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
PubChem CID17366637
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
SMILESCOc1cccc(CN2CCN(C(C)C)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;3-1(4)2(5)6/h4-6,11,13H,7-10,12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUSUSZEPWRZRZLV-UHFFFAOYSA-N
XLogP1.38
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenoxy]boronic acid
CID 142785030
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid (CID 17366637) is 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid is COc1cccc(CN2CCN(C(C)C)CC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
The InChIKey is USUSZEPWRZRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C2H2O4/c1-13(2)17-9-7-16(8-10-17)12-14-5-4-6-15(11-14)18-3;3-1(4)2(5)6/h4-6,11,13H,7-10,12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid?
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid has a molecular weight of 338.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid is sourced from PubChem (CID 17366637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).