2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol

C14H29N3O — CID 64788433

IUPAC2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
SMILESCCN1CCN(CC(CO)(NC)C2CC2)CC1C
InChIInChI=1S/C14H29N3O/c1-4-17-8-7-16(9-12(17)2)10-14(11-18,15-3)13-5-6-13/h12-13,15,18H,4-11H2,1-3H3
InChIKeyFMZZQETXXFVYFG-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.37
Rot. Bonds6

About 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol (PubChem CID 64788433) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
PubChem CID64788433
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
SMILESCCN1CCN(CC(CO)(NC)C2CC2)CC1C
InChIInChI=1S/C14H29N3O/c1-4-17-8-7-16(9-12(17)2)10-14(11-18,15-3)13-5-6-13/h12-13,15,18H,4-11H2,1-3H3
InChIKeyFMZZQETXXFVYFG-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol (CID 64788433) is 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol is CCN1CCN(CC(CO)(NC)C2CC2)CC1C.
What is the InChIKey of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
The InChIKey is FMZZQETXXFVYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-17-8-7-16(9-12(17)2)10-14(11-18,15-3)13-5-6-13/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol has a molecular weight of 255.41 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64788433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).