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

C32H40N2O3 — CID 157039183

IUPAC3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
SMILESc1ccc(COC2CN(C[C@@H]3CCCNC3)CC(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C32H40N2O3/c1-4-11-26(12-5-1)23-35-30-21-34(20-29-17-10-18-33-19-29)22-31(36-24-27-13-6-2-7-14-27)32(30)37-25-28-15-8-3-9-16-28/h1-9,11-16,29-33H,10,17-25H2/t29-,30?,31?,32?/m1/s1
InChIKeyCBUPCTFXFPDMQO-XWFMAZOLSA-N
MW500.68 g/mol
LogP5.06
Rot. Bonds11

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

3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine (PubChem CID 157039183) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
PubChem CID157039183
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC Name3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
SMILESc1ccc(COC2CN(C[C@@H]3CCCNC3)CC(OCc3ccccc3)C2OCc2ccccc2)cc1
InChIInChI=1S/C32H40N2O3/c1-4-11-26(12-5-1)23-35-30-21-34(20-29-17-10-18-33-19-29)22-31(36-24-27-13-6-2-7-14-27)32(30)37-25-28-15-8-3-9-16-28/h1-9,11-16,29-33H,10,17-25H2/t29-,30?,31?,32?/m1/s1
InChIKeyCBUPCTFXFPDMQO-XWFMAZOLSA-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
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 175706798
(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]-3,4,5-tris(phenylmethoxy)piperidine
CID 175865933
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
methyl (3S,4R)-4-phenyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 120848400
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
CID 56898536
2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930059
2-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]piperidin-1-yl]pyridine
CID 175865963
4-methyl-3-phenylmethoxypiperidine
CID 102954119

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The IUPAC name of 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine (CID 157039183) is 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine.
What is the SMILES notation for 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The canonical SMILES for 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine is c1ccc(COC2CN(C[C@@H]3CCCNC3)CC(OCc3ccccc3)C2OCc2ccccc2)cc1.
What is the InChIKey of 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The InChIKey is CBUPCTFXFPDMQO-XWFMAZOLSA-N. The full InChI is InChI=1S/C32H40N2O3/c1-4-11-26(12-5-1)23-35-30-21-34(20-29-17-10-18-33-19-29)22-31(36-24-27-13-6-2-7-14-27)32(30)37-25-28-15-8-3-9-16-28/h1-9,11-16,29-33H,10,17-25H2/t29-,30?,31?,32?/m1/s1.
What are the key properties of 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-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 3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine is sourced from PubChem (CID 157039183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).