1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

C14H29N3O — CID 62775844

IUPAC1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)CN1CCN(CC(O)CNC2CC2)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)10-16-5-7-17(8-6-16)11-14(18)9-15-13-3-4-13/h12-15,18H,3-11H2,1-2H3
InChIKeyXVGWJUCMYPRVAD-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.37
Rot. Bonds7

About 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (PubChem CID 62775844) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
PubChem CID62775844
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)CN1CCN(CC(O)CNC2CC2)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)10-16-5-7-17(8-6-16)11-14(18)9-15-13-3-4-13/h12-15,18H,3-11H2,1-2H3
InChIKeyXVGWJUCMYPRVAD-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (CID 62775844) is 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol is CC(C)CN1CCN(CC(O)CNC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is XVGWJUCMYPRVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)10-16-5-7-17(8-6-16)11-14(18)9-15-13-3-4-13/h12-15,18H,3-11H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 255.41 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 62775844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).