oxalic acid;2-phenyl-3-phenylmethoxypiperidine

C20H23NO5 — CID 19379364

IUPACoxalic acid;2-phenyl-3-phenylmethoxypiperidine
SMILESO=C(O)C(=O)O.c1ccc(COC2CCCNC2c2ccccc2)cc1
InChIInChI=1S/C18H21NO.C2H2O4/c1-3-8-15(9-4-1)14-20-17-12-7-13-19-18(17)16-10-5-2-6-11-16;3-1(4)2(5)6/h1-6,8-11,17-19H,7,12-14H2;(H,3,4)(H,5,6)
InChIKeyWHMNQGFROWJCMG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.85
Rot. Bonds4

About oxalic acid;2-phenyl-3-phenylmethoxypiperidine

oxalic acid;2-phenyl-3-phenylmethoxypiperidine (PubChem CID 19379364) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is oxalic acid;2-phenyl-3-phenylmethoxypiperidine.

Molecular Properties

Compound Nameoxalic acid;2-phenyl-3-phenylmethoxypiperidine
PubChem CID19379364
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Nameoxalic acid;2-phenyl-3-phenylmethoxypiperidine
SMILESO=C(O)C(=O)O.c1ccc(COC2CCCNC2c2ccccc2)cc1
InChIInChI=1S/C18H21NO.C2H2O4/c1-3-8-15(9-4-1)14-20-17-12-7-13-19-18(17)16-10-5-2-6-11-16;3-1(4)2(5)6/h1-6,8-11,17-19H,7,12-14H2;(H,3,4)(H,5,6)
InChIKeyWHMNQGFROWJCMG-UHFFFAOYSA-N
XLogP2.85
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 11568371
(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 11957600
benzyl N-(2-phenylpiperidin-3-yl)carbamate
CID 21197254
trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane
CID 22856761
trimethyl-[3-methyl-5-[(2-phenylpiperidin-3-yl)oxymethyl]phenyl]silane
CID 22315916
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(2S,3S)-3-[[3-methyl-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 158310806
(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
CID 167117714
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-phenylpiperidin-3-ol
CID 18782643
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-phenyl-3-phenylmethoxypiperidine?
The IUPAC name of oxalic acid;2-phenyl-3-phenylmethoxypiperidine (CID 19379364) is oxalic acid;2-phenyl-3-phenylmethoxypiperidine.
What is the SMILES notation for oxalic acid;2-phenyl-3-phenylmethoxypiperidine?
The canonical SMILES for oxalic acid;2-phenyl-3-phenylmethoxypiperidine is O=C(O)C(=O)O.c1ccc(COC2CCCNC2c2ccccc2)cc1.
What is the InChIKey of oxalic acid;2-phenyl-3-phenylmethoxypiperidine?
The InChIKey is WHMNQGFROWJCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C2H2O4/c1-3-8-15(9-4-1)14-20-17-12-7-13-19-18(17)16-10-5-2-6-11-16;3-1(4)2(5)6/h1-6,8-11,17-19H,7,12-14H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-phenyl-3-phenylmethoxypiperidine?
oxalic acid;2-phenyl-3-phenylmethoxypiperidine has a molecular weight of 357.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-phenyl-3-phenylmethoxypiperidine is sourced from PubChem (CID 19379364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).