[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol

C30H35NO4 — CID 11754618

IUPAC[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CCN1C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CO
InChIInChI=1S/C30H35NO4/c1-2-18-31-19-28(33-21-24-12-6-3-7-13-24)30(35-23-26-16-10-5-11-17-26)29(27(31)20-32)34-22-25-14-8-4-9-15-25/h2-17,27-30,32H,1,18-23H2/t27-,28+,29-,30+/m1/s1
InChIKeyQLIIZMMYGWZFLR-ATIZSFMBSA-N
MW473.61 g/mol
LogP4.61
Rot. Bonds12

About [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol

[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol (PubChem CID 11754618) has the molecular formula C30H35NO4 and a molecular weight of 473.61 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
PubChem CID11754618
Molecular FormulaC30H35NO4
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CCN1C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CO
InChIInChI=1S/C30H35NO4/c1-2-18-31-19-28(33-21-24-12-6-3-7-13-24)30(35-23-26-16-10-5-11-17-26)29(27(31)20-32)34-22-25-14-8-4-9-15-25/h2-17,27-30,32H,1,18-23H2/t27-,28+,29-,30+/m1/s1
InChIKeyQLIIZMMYGWZFLR-ATIZSFMBSA-N
XLogP4.61
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
(2R,3R,4R)-2-[(Z)-2-phenylethenyl]-3,4-bis(phenylmethoxy)-1-prop-2-enylpyrrolidine
CID 45380156
2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine
CID 58732890
benzyl (2S,3S,4S,5R)-3,4,5-tris(phenylmethoxy)-2-prop-2-enylpiperidine-1-carboxylate
CID 102144017
benzyl (2S,3R,4R,5R)-2-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate
CID 53355865
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-2-yl]methanol
CID 155286524
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol
CID 173332669
(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
CID 53230988

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol (CID 11754618) is [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol is C=CCN1C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CO.
What is the InChIKey of [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol?
The InChIKey is QLIIZMMYGWZFLR-ATIZSFMBSA-N. The full InChI is InChI=1S/C30H35NO4/c1-2-18-31-19-28(33-21-24-12-6-3-7-13-24)30(35-23-26-16-10-5-11-17-26)29(27(31)20-32)34-22-25-14-8-4-9-15-25/h2-17,27-30,32H,1,18-23H2/t27-,28+,29-,30+/m1/s1.
What are the key properties of [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol?
[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol has a molecular weight of 473.61 g/mol, XLogP of 4.61, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol is sourced from PubChem (CID 11754618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).