2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine

C26H29NO3 — CID 67677363

IUPAC2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine
SMILESCOc1cccc(C(c2ccccc2)(c2ccccc2)C2CCCCN2O)c1OC
InChIInChI=1S/C26H29NO3/c1-29-23-17-11-16-22(25(23)30-2)26(20-12-5-3-6-13-20,21-14-7-4-8-15-21)24-18-9-10-19-27(24)28/h3-8,11-17,24,28H,9-10,18-19H2,1-2H3
InChIKeyCBHWXNSHAJJWCV-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.28
Rot. Bonds6

About 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine

2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine (PubChem CID 67677363) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine
PubChem CID67677363
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine
SMILESCOc1cccc(C(c2ccccc2)(c2ccccc2)C2CCCCN2O)c1OC
InChIInChI=1S/C26H29NO3/c1-29-23-17-11-16-22(25(23)30-2)26(20-12-5-3-6-13-20,21-14-7-4-8-15-21)24-18-9-10-19-27(24)28/h3-8,11-17,24,28H,9-10,18-19H2,1-2H3
InChIKeyCBHWXNSHAJJWCV-UHFFFAOYSA-N
XLogP5.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methoxyphenyl)-diphenylmethyl]pyrrolidine
CID 67427806
[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
CID 67379044
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
2-(2,2-dihydroxyethylsulfonyl)ethane-1,1-diol;1-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]-diphenylmethyl]-2,3-dimethoxybenzene
CID 70298828
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
1-[tris(2-methoxyphenyl)methyl]piperidine
CID 67427832
phenol;1,2,3-trimethoxybenzene
CID 174871155
6-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]amino]pyridine-3-carboxylic acid
CID 87361978
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331887
(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
CID 129466790
[(3aR,8aR)-1-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 110136269

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine (CID 67677363) is 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine is COc1cccc(C(c2ccccc2)(c2ccccc2)C2CCCCN2O)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine?
The InChIKey is CBHWXNSHAJJWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-29-23-17-11-16-22(25(23)30-2)26(20-12-5-3-6-13-20,21-14-7-4-8-15-21)24-18-9-10-19-27(24)28/h3-8,11-17,24,28H,9-10,18-19H2,1-2H3.
What are the key properties of 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine?
2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine has a molecular weight of 403.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)-diphenylmethyl]-1-hydroxypiperidine is sourced from PubChem (CID 67677363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).