1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol

C14H29N3O — CID 83227216

IUPAC1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCC1CCC(C)N1CC(O)CN1CCNCC1
InChIInChI=1S/C14H29N3O/c1-3-13-5-4-12(2)17(13)11-14(18)10-16-8-6-15-7-9-16/h12-15,18H,3-11H2,1-2H3
InChIKeyYMAULDBYHYAKGF-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.52
Rot. Bonds5

About 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol

1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 83227216) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID83227216
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCC1CCC(C)N1CC(O)CN1CCNCC1
InChIInChI=1S/C14H29N3O/c1-3-13-5-4-12(2)17(13)11-14(18)10-16-8-6-15-7-9-16/h12-15,18H,3-11H2,1-2H3
InChIKeyYMAULDBYHYAKGF-UHFFFAOYSA-N
XLogP0.52
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethylpiperazin-1-yl)propan-2-ol
CID 17954154
2-(octahydro-1H-pyrrolo(3,2-b)pyridin-4-yl)ethan-1-ol
CID 132327663
1-(Piperidin-4-YL)pyrrolidin-3-OL
CID 53408162
1-[Methyl(piperidin-4-yl)amino]propan-2-ol
CID 60886866
trans-4-(1-Piperidinyl)-3-pyrrolidinol dihydrochloride
CID 75530879
rac-2-[(3aR,7aR)-octahydro-1H-pyrrolo[3,2-b]pyridin-4-yl]ethan-1-ol
CID 155822604
trans-4-(Piperidin-1-yl)pyrrolidin-3-ol
CID 29893158
2-[Methyl(piperidin-3-yl)amino]ethan-1-ol
CID 56831576
2-(3,8-Diazabicyclo[3.2.1]octan-3-yl)ethanol
CID 45099439
2-(3,8-Diazabicyclo[3.2.1]octan-8-yl)ethanol
CID 45099440
3-[N-(2-hydroxyethyl)amino]tropane
CID 29082744
3-[8-Azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63899459

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol (CID 83227216) is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol is CCC1CCC(C)N1CC(O)CN1CCNCC1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is YMAULDBYHYAKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-13-5-4-12(2)17(13)11-14(18)10-16-8-6-15-7-9-16/h12-15,18H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol?
1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 255.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 83227216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).