2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol

C16H33N3O — CID 114540865

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
SMILESCC(C)NC(CO)(CN1CC(C)N(C)C(C)C1)C1CC1
InChIInChI=1S/C16H33N3O/c1-12(2)17-16(11-20,15-6-7-15)10-19-8-13(3)18(5)14(4)9-19/h12-15,17,20H,6-11H2,1-5H3
InChIKeyAKZMCPIKRFJPKK-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.15
Rot. Bonds6

About 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol

2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol (PubChem CID 114540865) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
PubChem CID114540865
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
SMILESCC(C)NC(CO)(CN1CC(C)N(C)C(C)C1)C1CC1
InChIInChI=1S/C16H33N3O/c1-12(2)17-16(11-20,15-6-7-15)10-19-8-13(3)18(5)14(4)9-19/h12-15,17,20H,6-11H2,1-5H3
InChIKeyAKZMCPIKRFJPKK-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol with MolForge

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Related Compounds

2-Cyclopropyl-2-(methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64790098
2-Cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64790889
2-Cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64825488
2-Cyclopropyl-2-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64826284
2-Cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826657
2-Cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propan-1-ol
CID 64827277
2-Cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64827669
2-Cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827874
2-Cyclopropyl-2-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64827883
2-Cyclopropyl-2-(propylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-ol
CID 65545275
2-Cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-ol
CID 65545276
2-Cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-1-ol
CID 65545277

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol (CID 114540865) is 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol is CC(C)NC(CO)(CN1CC(C)N(C)C(C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
The InChIKey is AKZMCPIKRFJPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12(2)17-16(11-20,15-6-7-15)10-19-8-13(3)18(5)14(4)9-19/h12-15,17,20H,6-11H2,1-5H3.
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol?
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 114540865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).