2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine

C37H49NO3 — CID 155721185

IUPAC2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine
SMILESCC(C)C1CCC(CN2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2C)CC1
InChIInChI=1S/C37H49NO3/c1-28(2)34-21-19-30(20-22-34)23-38-24-35(39-25-31-13-7-4-8-14-31)37(41-27-33-17-11-6-12-18-33)36(29(38)3)40-26-32-15-9-5-10-16-32/h4-18,28-30,34-37H,19-27H2,1-3H3
InChIKeyVSLMNMBFEMTUGV-UHFFFAOYSA-N
MW555.80 g/mol
LogP7.91
Rot. Bonds12

About 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine

2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine (PubChem CID 155721185) has the molecular formula C37H49NO3 and a molecular weight of 555.80 g/mol. Its IUPAC name is 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine
PubChem CID155721185
Molecular FormulaC37H49NO3
Molecular Weight555.80 g/mol
Exact Mass555.37
IUPAC Name2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine
SMILESCC(C)C1CCC(CN2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2C)CC1
InChIInChI=1S/C37H49NO3/c1-28(2)34-21-19-30(20-22-34)23-38-24-35(39-25-31-13-7-4-8-14-31)37(41-27-33-17-11-6-12-18-33)36(29(38)3)40-26-32-15-9-5-10-16-32/h4-18,28-30,34-37H,19-27H2,1-3H3
InChIKeyVSLMNMBFEMTUGV-UHFFFAOYSA-N
XLogP7.91
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.80
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R,5S)-2-(fluoromethyl)-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine
CID 155286620
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-(spiro[2.5]octan-6-ylmethyl)piperidine
CID 155721114
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
2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 175706798
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 155286796
(2S,3R,4R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 175844519
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 155286497
(3R,5S)-1-[[4-(difluoromethyl)cyclohexyl]methyl]-3,4,5-tris(phenylmethoxy)piperidine
CID 175865933
[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-2-yl]methanol
CID 155286524
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]piperidine
CID 155721008
(2R,3R,4R,5S)-1-[2-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]ethyl]-2-methyl-3,4,5-tris(phenylmethoxy)piperidine
CID 155721186
[(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine?
The IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine (CID 155721185) is 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine.
What is the SMILES notation for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine?
The canonical SMILES for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine is CC(C)C1CCC(CN2CC(OCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2C)CC1.
What is the InChIKey of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine?
The InChIKey is VSLMNMBFEMTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49NO3/c1-28(2)34-21-19-30(20-22-34)23-38-24-35(39-25-31-13-7-4-8-14-31)37(41-27-33-17-11-6-12-18-33)36(29(38)3)40-26-32-15-9-5-10-16-32/h4-18,28-30,34-37H,19-27H2,1-3H3.
What are the key properties of 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine?
2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine has a molecular weight of 555.80 g/mol, XLogP of 7.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5-tris(phenylmethoxy)-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine is sourced from PubChem (CID 155721185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).