(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

C18H36N4O2 — CID 99104205

IUPAC(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCN1CCCC[C@@H]1CN1CCN(C[C@@H](O)CN2CCOCC2)CC1
InChIInChI=1S/C18H36N4O2/c1-19-5-3-2-4-17(19)14-20-6-8-21(9-7-20)15-18(23)16-22-10-12-24-13-11-22/h17-18,23H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyXQQDHCHRNBNGLH-QZTJIDSGSA-N
MW340.51 g/mol
LogP-0.22
Rot. Bonds6

About (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 99104205) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID99104205
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCN1CCCC[C@@H]1CN1CCN(C[C@@H](O)CN2CCOCC2)CC1
InChIInChI=1S/C18H36N4O2/c1-19-5-3-2-4-17(19)14-20-6-8-21(9-7-20)15-18(23)16-22-10-12-24-13-11-22/h17-18,23H,2-16H2,1H3/t17-,18-/m1/s1
InChIKeyXQQDHCHRNBNGLH-QZTJIDSGSA-N
XLogP-0.22
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111487950
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422240
1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111452480
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040
1-(3-methylpiperidin-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 110879064
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129461226
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 111113367
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 99104205) is (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is CN1CCCC[C@@H]1CN1CCN(C[C@@H](O)CN2CCOCC2)CC1.
What is the InChIKey of (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is XQQDHCHRNBNGLH-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-19-5-3-2-4-17(19)14-20-6-8-21(9-7-20)15-18(23)16-22-10-12-24-13-11-22/h17-18,23H,2-16H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 340.51 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 99104205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).