4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid

C19H22N2O3 — CID 68724845

IUPAC4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N2O3/c22-19(23)21-11-9-20(10-12-21)14-17-7-4-8-18(13-17)24-15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,22,23)
InChIKeyLGYCFNVMHKTQKO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.06
Rot. Bonds5

About 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid

4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid (PubChem CID 68724845) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
PubChem CID68724845
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C19H22N2O3/c22-19(23)21-11-9-20(10-12-21)14-17-7-4-8-18(13-17)24-15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,22,23)
InChIKeyLGYCFNVMHKTQKO-UHFFFAOYSA-N
XLogP3.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196
4-[[3-(3,5-difluorophenoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 142760368
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
4-[[3-(3,4-difluorophenoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 142760370
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
CID 68722428
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
CID 2846220
4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxylic acid
CID 67151233
(4-benzylpiperazin-1-yl)-[3-[(3-bromophenoxy)methyl]phenyl]methanone
CID 19289234

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid (CID 68724845) is 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid?
The InChIKey is LGYCFNVMHKTQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(23)21-11-9-20(10-12-21)14-17-7-4-8-18(13-17)24-15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,22,23).
What are the key properties of 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid?
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68724845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).