(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol

C14H30N2O — CID 146548382

IUPAC(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2,3)12(17)11-15-7-9-16(10-8-15)14(4,5)6/h12,17H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyXEPPFDXJCKOLTQ-LBPRGKRZSA-N
MW242.41 g/mol
LogP1.81
Rot. Bonds2

About (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol

(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol (PubChem CID 146548382) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
PubChem CID146548382
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2,3)12(17)11-15-7-9-16(10-8-15)14(4,5)6/h12,17H,7-11H2,1-6H3/t12-/m0/s1
InChIKeyXEPPFDXJCKOLTQ-LBPRGKRZSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol with MolForge

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
CID 112561370
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279
1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
CID 61429689
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
CID 130501782
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2R)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 97311891
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736
4-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]butanenitrile
CID 95309198
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79037151

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol (CID 146548382) is (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)[C@@H](O)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is XEPPFDXJCKOLTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,3)12(17)11-15-7-9-16(10-8-15)14(4,5)6/h12,17H,7-11H2,1-6H3/t12-/m0/s1.
What are the key properties of (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol?
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 146548382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).