(2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol

C30H35N3O2 — CID 122180811

IUPAC(2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol
SMILESOC[C@H](O)CN1[C@@H](CCc2ccc3ccccc3n2)CCC[C@H]1CCc1ccc2ccccc2n1
InChIInChI=1S/C30H35N3O2/c34-21-28(35)20-33-26(18-16-24-14-12-22-6-1-3-10-29(22)31-24)8-5-9-27(33)19-17-25-15-13-23-7-2-4-11-30(23)32-25/h1-4,6-7,10-15,26-28,34-35H,5,8-9,16-21H2/t26-,27+,28-/m1/s1
InChIKeySAKFXGOZXVVDHU-OZNIXHKMSA-N
MW469.63 g/mol
LogP4.92
Rot. Bonds9

About (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol

(2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol (PubChem CID 122180811) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol
PubChem CID122180811
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name(2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol
SMILESOC[C@H](O)CN1[C@@H](CCc2ccc3ccccc3n2)CCC[C@H]1CCc1ccc2ccccc2n1
InChIInChI=1S/C30H35N3O2/c34-21-28(35)20-33-26(18-16-24-14-12-22-6-1-3-10-29(22)31-24)8-5-9-27(33)19-17-25-15-13-23-7-2-4-11-30(23)32-25/h1-4,6-7,10-15,26-28,34-35H,5,8-9,16-21H2/t26-,27+,28-/m1/s1
InChIKeySAKFXGOZXVVDHU-OZNIXHKMSA-N
XLogP4.92
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
2-[2-(oxiran-2-yl)ethyl]quinoline
CID 115410457
9-quinolin-2-ylnonan-1-ol
CID 19898716
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
2-[[2-(2-bromoethyl)pyrrolidin-1-yl]methyl]quinoline
CID 112747828
1-cyclopropyl-2-(quinolin-2-ylmethylamino)ethanol
CID 63298862
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 70905536
2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline
CID 80675692
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811541

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol (CID 122180811) is (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol is OC[C@H](O)CN1[C@@H](CCc2ccc3ccccc3n2)CCC[C@H]1CCc1ccc2ccccc2n1.
What is the InChIKey of (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol?
The InChIKey is SAKFXGOZXVVDHU-OZNIXHKMSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-21-28(35)20-33-26(18-16-24-14-12-22-6-1-3-10-29(22)31-24)8-5-9-27(33)19-17-25-15-13-23-7-2-4-11-30(23)32-25/h1-4,6-7,10-15,26-28,34-35H,5,8-9,16-21H2/t26-,27+,28-/m1/s1.
What are the key properties of (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol?
(2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol has a molecular weight of 469.63 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2S,6R)-2,6-bis(2-quinolin-2-ylethyl)piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 122180811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).