ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid

C24H29NO7 — CID 23724214

IUPACethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
SMILESCCOC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H27NO3.C2H2O4/c1-2-25-22(24)20-12-14-23(15-13-20)16-18-8-10-21(11-9-18)26-17-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyVOKGAGABEKFEPZ-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.20
Rot. Bonds7

About ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid

ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid (PubChem CID 23724214) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid.

Molecular Properties

Compound Nameethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
PubChem CID23724214
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Nameethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
SMILESCCOC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H27NO3.C2H2O4/c1-2-25-22(24)20-12-14-23(15-13-20)16-18-8-10-21(11-9-18)26-17-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyVOKGAGABEKFEPZ-UHFFFAOYSA-N
XLogP3.20
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
ethyl 1-[2-oxo-2-(3-phenylmethoxyanilino)ethyl]piperidine-4-carboxylate
CID 54837787
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid?
The IUPAC name of ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid (CID 23724214) is ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid.
What is the SMILES notation for ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid?
The canonical SMILES for ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid is CCOC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid?
The InChIKey is VOKGAGABEKFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3.C2H2O4/c1-2-25-22(24)20-12-14-23(15-13-20)16-18-8-10-21(11-9-18)26-17-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,20H,2,12-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid?
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid has a molecular weight of 443.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid is sourced from PubChem (CID 23724214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).