(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol

C16H34N2O2 — CID 126654379

IUPAC(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol
SMILESCC(C)(C)COC[C@@H](O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-15(2,3)13-20-12-14(19)11-17-7-9-18(10-8-17)16(4,5)6/h14,19H,7-13H2,1-6H3/t14-/m0/s1
InChIKeyIYVGJKGPLIKNCD-AWEZNQCLSA-N
MW286.46 g/mol
LogP1.83
Rot. Bonds5

About (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol

(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol (PubChem CID 126654379) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol
PubChem CID126654379
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol
SMILESCC(C)(C)COC[C@@H](O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-15(2,3)13-20-12-14(19)11-17-7-9-18(10-8-17)16(4,5)6/h14,19H,7-13H2,1-6H3/t14-/m0/s1
InChIKeyIYVGJKGPLIKNCD-AWEZNQCLSA-N
XLogP1.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol (CID 126654379) is (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol is CC(C)(C)COC[C@@H](O)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol?
The InChIKey is IYVGJKGPLIKNCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-15(2,3)13-20-12-14(19)11-17-7-9-18(10-8-17)16(4,5)6/h14,19H,7-13H2,1-6H3/t14-/m0/s1.
What are the key properties of (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol?
(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol is sourced from PubChem (CID 126654379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).