4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol

C19H33N3O2S — CID 162792981

IUPAC4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol
SMILESCOCC1CCCN1Cc1nc(C2(O)CCN(CC(C)C)CC2)cs1
InChIInChI=1S/C19H33N3O2S/c1-15(2)11-21-9-6-19(23,7-10-21)17-14-25-18(20-17)12-22-8-4-5-16(22)13-24-3/h14-16,23H,4-13H2,1-3H3
InChIKeyMYNPCIPSGDEHNS-UHFFFAOYSA-N
MW367.56 g/mol
LogP2.69
Rot. Bonds7

About 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol

4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol (PubChem CID 162792981) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol
PubChem CID162792981
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC Name4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol
SMILESCOCC1CCCN1Cc1nc(C2(O)CCN(CC(C)C)CC2)cs1
InChIInChI=1S/C19H33N3O2S/c1-15(2)11-21-9-6-19(23,7-10-21)17-14-25-18(20-17)12-22-8-4-5-16(22)13-24-3/h14-16,23H,4-13H2,1-3H3
InChIKeyMYNPCIPSGDEHNS-UHFFFAOYSA-N
XLogP2.69
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
CID 162890731
4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
CID 100643793
cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 162918157
1-[(2-fluorophenyl)methyl]-4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100626141
1-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenylethanone
CID 162966986
4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide
CID 162798235
1-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100645781
4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
CID 100646535
methyl 3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
CID 97054784
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338047
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen
CID 162382985

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol (CID 162792981) is 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol is COCC1CCCN1Cc1nc(C2(O)CCN(CC(C)C)CC2)cs1.
What is the InChIKey of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol?
The InChIKey is MYNPCIPSGDEHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-15(2)11-21-9-6-19(23,7-10-21)17-14-25-18(20-17)12-22-8-4-5-16(22)13-24-3/h14-16,23H,4-13H2,1-3H3.
What are the key properties of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol?
4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol has a molecular weight of 367.56 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 162792981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).