(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol

C17H34N4O2 — CID 56743814

IUPAC(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCN1CCN([C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2O)CC1
InChIInChI=1S/C17H34N4O2/c1-17(2,21-8-10-23-11-9-21)14-19-12-15(16(22)13-19)20-6-4-18(3)5-7-20/h15-16,22H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyVYCJJYOFDJDREG-HOTGVXAUSA-N
MW326.49 g/mol
LogP-0.61
Rot. Bonds4

About (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol

(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol (PubChem CID 56743814) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
PubChem CID56743814
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCN1CCN([C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2O)CC1
InChIInChI=1S/C17H34N4O2/c1-17(2,21-8-10-23-11-9-21)14-19-12-15(16(22)13-19)20-6-4-18(3)5-7-20/h15-16,22H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyVYCJJYOFDJDREG-HOTGVXAUSA-N
XLogP-0.61
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,7R)-2-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211406
1-Tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 58311602
1-Ethyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 68250358
(3S,4S)-4-morpholin-4-yl-1-propan-2-ylpyrrolidin-3-ol
CID 121367711
(3S,4S)-1-methyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 121368568
1-Methyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 123269721
[4-Tert-butyl-6-[[(1-tert-butylpyrrolidin-3-yl)-methylamino]methyl]morpholin-2-yl]methanol
CID 126724874
2-[4-[1-[2-Hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propoxy]propan-2-yl]piperazin-1-yl]-2-methylpropan-1-ol
CID 129196726
Ethane;1-methyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 144205067
3-[1-Hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]oxy-2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 154933003
2-(1-Ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine
CID 155022649
2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-N,2-dimethyl-N-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]propan-1-amine
CID 156171930

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol (CID 56743814) is (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol is CN1CCN([C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2O)CC1.
What is the InChIKey of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
The InChIKey is VYCJJYOFDJDREG-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-17(2,21-8-10-23-11-9-21)14-19-12-15(16(22)13-19)20-6-4-18(3)5-7-20/h15-16,22H,4-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol?
(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol has a molecular weight of 326.49 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 56743814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).