3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol

C14H29N3O — CID 114356855

IUPAC3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol
SMILESCC(C)(C)N1CCN(C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-8-6-16(7-9-17)12(10-18)13(15)11-4-5-11/h11-13,18H,4-10,15H2,1-3H3
InChIKeyPXNOHBSBZOQTOB-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.50
Rot. Bonds4

About 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol

3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol (PubChem CID 114356855) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol
PubChem CID114356855
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol
SMILESCC(C)(C)N1CCN(C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)17-8-6-16(7-9-17)12(10-18)13(15)11-4-5-11/h11-13,18H,4-10,15H2,1-3H3
InChIKeyPXNOHBSBZOQTOB-UHFFFAOYSA-N
XLogP0.50
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol?
The IUPAC name of 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol (CID 114356855) is 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol?
The canonical SMILES for 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol is CC(C)(C)N1CCN(C(CO)C(N)C2CC2)CC1.
What is the InChIKey of 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol?
The InChIKey is PXNOHBSBZOQTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)17-8-6-16(7-9-17)12(10-18)13(15)11-4-5-11/h11-13,18H,4-10,15H2,1-3H3.
What are the key properties of 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol?
3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol has a molecular weight of 255.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol is sourced from PubChem (CID 114356855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).