2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile

C14H27N3O3 — CID 106990694

IUPAC2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
SMILESCOCC(C)OCC(O)CN1CCN(C(C)C#N)CC1
InChIInChI=1S/C14H27N3O3/c1-12(8-15)17-6-4-16(5-7-17)9-14(18)11-20-13(2)10-19-3/h12-14,18H,4-7,9-11H2,1-3H3
InChIKeyLAWRZPUFBBCNOX-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.07
Rot. Bonds8

About 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile

2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile (PubChem CID 106990694) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
PubChem CID106990694
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
SMILESCOCC(C)OCC(O)CN1CCN(C(C)C#N)CC1
InChIInChI=1S/C14H27N3O3/c1-12(8-15)17-6-4-16(5-7-17)9-14(18)11-20-13(2)10-19-3/h12-14,18H,4-7,9-11H2,1-3H3
InChIKeyLAWRZPUFBBCNOX-UHFFFAOYSA-N
XLogP-0.07
TPSA68.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
CID 106992256
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
CID 119036046
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991981
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617
2-[4-(2,4-dimethylpentyl)piperazin-1-yl]propanenitrile
CID 114200203

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile (CID 106990694) is 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile is COCC(C)OCC(O)CN1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile?
The InChIKey is LAWRZPUFBBCNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-12(8-15)17-6-4-16(5-7-17)9-14(18)11-20-13(2)10-19-3/h12-14,18H,4-7,9-11H2,1-3H3.
What are the key properties of 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile?
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile has a molecular weight of 285.39 g/mol, XLogP of -0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 106990694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).