(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

C34H37NO3 — CID 25207865

IUPAC(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESc1ccc(COC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H37NO3/c1-5-13-28(14-6-1)23-35-22-21-33(37-25-30-17-9-3-10-18-30)34(38-26-31-19-11-4-12-20-31)32(35)27-36-24-29-15-7-2-8-16-29/h1-20,32-34H,21-27H2/t32-,33-,34-/m1/s1
InChIKeyRSWSJAQDYYKURC-CKOYEXALSA-N
MW507.67 g/mol
LogP6.65
Rot. Bonds12

About (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (PubChem CID 25207865) has the molecular formula C34H37NO3 and a molecular weight of 507.67 g/mol. Its IUPAC name is (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
PubChem CID25207865
Molecular FormulaC34H37NO3
Molecular Weight507.67 g/mol
Exact Mass507.28
IUPAC Name(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESc1ccc(COC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H37NO3/c1-5-13-28(14-6-1)23-35-22-21-33(37-25-30-17-9-3-10-18-30)34(38-26-31-19-11-4-12-20-31)32(35)27-36-24-29-15-7-2-8-16-29/h1-20,32-34H,21-27H2/t32-,33-,34-/m1/s1
InChIKeyRSWSJAQDYYKURC-CKOYEXALSA-N
XLogP6.65
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.67
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
CID 10388166
Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
(+/-)-2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-2-phenyl-ethanol
CID 10862638
2-Benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-1-ol
CID 127026609
5-[(2R,3R,4R,5S)-1-(naphthalen-1-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine
CID 155546680
(4R,5S)-4-phenyl-5-phenylmethoxy-3-propan-2-yl-1,3-oxazinane
CID 44185938
(4R,5S)-4-(4-methylphenyl)-3-(2-methylpropyl)-5-phenylmethoxy-1,3-oxazinane
CID 44185997
(2S)-1-benzyl-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
CID 44275981
1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinecarbaldehyde oxime
CID 9569915
5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine
CID 122181227
(1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol
CID 364050
2,3,4,6-Tetra-O-benzyl-1-deoxynojirimycin Hydrochloric Acid Salt
CID 57369853

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The IUPAC name of (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (CID 25207865) is (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The canonical SMILES for (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is c1ccc(COC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The InChIKey is RSWSJAQDYYKURC-CKOYEXALSA-N. The full InChI is InChI=1S/C34H37NO3/c1-5-13-28(14-6-1)23-35-22-21-33(37-25-30-17-9-3-10-18-30)34(38-26-31-19-11-4-12-20-31)32(35)27-36-24-29-15-7-2-8-16-29/h1-20,32-34H,21-27H2/t32-,33-,34-/m1/s1.
What are the key properties of (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine has a molecular weight of 507.67 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 25207865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).