(2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol

C26H35NO5 — CID 51922150

IUPAC(2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)[C@@H](C)[C@@H](c2cc(OC)ccc2OC)N[C@@H](c2cc(OC)ccc2OC)[C@@H]1C
InChIInChI=1S/C26H35NO5/c1-8-13-26(28)16(2)24(20-14-18(29-4)9-11-22(20)31-6)27-25(17(26)3)21-15-19(30-5)10-12-23(21)32-7/h8-12,14-17,24-25,27-28H,1,13H2,2-7H3/t16-,17-,24-,25+,26?/m0/s1
InChIKeyBXFWZVIPUFEVJH-FTYXXKCGSA-N
MW441.57 g/mol
LogP4.69
Rot. Bonds8

About (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol

(2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol (PubChem CID 51922150) has the molecular formula C26H35NO5 and a molecular weight of 441.57 g/mol. Its IUPAC name is (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol
PubChem CID51922150
Molecular FormulaC26H35NO5
Molecular Weight441.57 g/mol
Exact Mass441.25
IUPAC Name(2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)[C@@H](C)[C@@H](c2cc(OC)ccc2OC)N[C@@H](c2cc(OC)ccc2OC)[C@@H]1C
InChIInChI=1S/C26H35NO5/c1-8-13-26(28)16(2)24(20-14-18(29-4)9-11-22(20)31-6)27-25(17(26)3)21-15-19(30-5)10-12-23(21)32-7/h8-12,14-17,24-25,27-28H,1,13H2,2-7H3/t16-,17-,24-,25+,26?/m0/s1
InChIKeyBXFWZVIPUFEVJH-FTYXXKCGSA-N
XLogP4.69
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(2,5-dimethoxyphenyl)-3,4,5-trimethylpiperidin-4-ol;oxalic acid
CID 126476640
ethyl (4R,5S,6R)-6-(2,5-dimethoxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 1189291
(NE)-N-[(2R,3R,6S)-2,6-bis(2,5-dimethoxyphenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 7243042
(2R,3S,5S,6S)-2,6-bis(2,4-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 7373110
4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
CID 25220334
cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178197757
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
prop-2-enyl (5S)-5-(2,5-dimethoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 40579899
(4R,5R,6S)-5-benzoyl-6-(2,5-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 6551449
(4R,5S,6R)-6-(2,5-dimethoxyphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 124771380
2-methylsulfanylethyl (4S,5R)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2054910
[(1R,2R)-2-methylcyclopentyl] (4S)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 6549918

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol (CID 51922150) is (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol is C=CCC1(O)[C@@H](C)[C@@H](c2cc(OC)ccc2OC)N[C@@H](c2cc(OC)ccc2OC)[C@@H]1C.
What is the InChIKey of (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is BXFWZVIPUFEVJH-FTYXXKCGSA-N. The full InChI is InChI=1S/C26H35NO5/c1-8-13-26(28)16(2)24(20-14-18(29-4)9-11-22(20)31-6)27-25(17(26)3)21-15-19(30-5)10-12-23(21)32-7/h8-12,14-17,24-25,27-28H,1,13H2,2-7H3/t16-,17-,24-,25+,26?/m0/s1.
What are the key properties of (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol?
(2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 441.57 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6S)-2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethyl-4-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 51922150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).