2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine

C25H34N2O2 — CID 175407502

IUPAC2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESc1ccc(COCC2(OCc3ccccc3)CCCCN2CC2CCNC2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-9-22(10-4-1)19-28-21-25(29-20-23-11-5-2-6-12-23)14-7-8-16-27(25)18-24-13-15-26-17-24/h1-6,9-12,24,26H,7-8,13-21H2
InChIKeyMIMLTWIDIHWPSZ-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.21
Rot. Bonds9

About 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine

2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine (PubChem CID 175407502) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
PubChem CID175407502
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESc1ccc(COCC2(OCc3ccccc3)CCCCN2CC2CCNC2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-9-22(10-4-1)19-28-21-25(29-20-23-11-5-2-6-12-23)14-7-8-16-27(25)18-24-13-15-26-17-24/h1-6,9-12,24,26H,7-8,13-21H2
InChIKeyMIMLTWIDIHWPSZ-UHFFFAOYSA-N
XLogP4.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175205971
2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
CID 175208324
1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175211247
1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175216623
benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
CID 166150825
2-(fluoromethyl)-1-(2-phenylethyl)-2-phenylmethoxypiperidine
CID 175215705
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 175706798
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine?
The IUPAC name of 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine (CID 175407502) is 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine.
What is the SMILES notation for 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine?
The canonical SMILES for 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine is c1ccc(COCC2(OCc3ccccc3)CCCCN2CC2CCNC2)cc1.
What is the InChIKey of 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine?
The InChIKey is MIMLTWIDIHWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-9-22(10-4-1)19-28-21-25(29-20-23-11-5-2-6-12-23)14-7-8-16-27(25)18-24-13-15-26-17-24/h1-6,9-12,24,26H,7-8,13-21H2.
What are the key properties of 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine?
2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine has a molecular weight of 394.56 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine is sourced from PubChem (CID 175407502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).