2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine

C32H40N2O3 — CID 175706798

IUPAC2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
SMILESCC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1C[C@@H]1CCNC1
InChIInChI=1S/C32H40N2O3/c1-25-31(36-23-27-13-7-3-8-14-27)32(37-24-28-15-9-4-10-16-28)30(35-22-26-11-5-2-6-12-26)21-34(25)20-29-17-18-33-19-29/h2-16,25,29-33H,17-24H2,1H3/t25?,29-,30?,31?,32?/m1/s1
InChIKeyNPKPFBLNKFURRZ-OWOSJHDSSA-N
MW500.68 g/mol
LogP5.06
Rot. Bonds11

About 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine

2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine (PubChem CID 175706798) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
PubChem CID175706798
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC Name2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
SMILESCC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1C[C@@H]1CCNC1
InChIInChI=1S/C32H40N2O3/c1-25-31(36-23-27-13-7-3-8-14-27)32(37-24-28-15-9-4-10-16-28)30(35-22-26-11-5-2-6-12-26)21-34(25)20-29-17-18-33-19-29/h2-16,25,29-33H,17-24H2,1H3/t25?,29-,30?,31?,32?/m1/s1
InChIKeyNPKPFBLNKFURRZ-OWOSJHDSSA-N
XLogP5.06
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 155286796
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-(spiro[2.5]octan-6-ylmethyl)piperidine
CID 155721114
2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine
CID 155721185
3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 157039183
2-methyl-1-[4-[[(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 155286505
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 155286497
4-methyl-3-phenylmethoxypiperidine
CID 102954119
benzyl (3S)-3-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine-1-carboxylate
CID 165136496
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine
CID 155721008
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
[(3R)-3-[[(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 155721033
2-methyl-3,4,5-tris(phenylmethoxy)piperidine
CID 91043089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine (CID 175706798) is 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine is CC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1C[C@@H]1CCNC1.
What is the InChIKey of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
The InChIKey is NPKPFBLNKFURRZ-OWOSJHDSSA-N. The full InChI is InChI=1S/C32H40N2O3/c1-25-31(36-23-27-13-7-3-8-14-27)32(37-24-28-15-9-4-10-16-28)30(35-22-26-11-5-2-6-12-26)21-34(25)20-29-17-18-33-19-29/h2-16,25,29-33H,17-24H2,1H3/t25?,29-,30?,31?,32?/m1/s1.
What are the key properties of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine?
2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine has a molecular weight of 500.68 g/mol, XLogP of 5.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 175706798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).