1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol

C11H23ClN2O — CID 112561370

IUPAC1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
SMILESCC(C)(C)N1CCN(CC(O)CCl)CC1
InChIInChI=1S/C11H23ClN2O/c1-11(2,3)14-6-4-13(5-7-14)9-10(15)8-12/h10,15H,4-9H2,1-3H3
InChIKeyHREWMSFIEDUJNG-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.00
Rot. Bonds3

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

1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol (PubChem CID 112561370) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
PubChem CID112561370
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
SMILESCC(C)(C)N1CCN(CC(O)CCl)CC1
InChIInChI=1S/C11H23ClN2O/c1-11(2,3)14-6-4-13(5-7-14)9-10(15)8-12/h10,15H,4-9H2,1-3H3
InChIKeyHREWMSFIEDUJNG-UHFFFAOYSA-N
XLogP1.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
CID 61429689
1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
1-(3-chloro-2-hydroxypropyl)piperidin-4-one
CID 130130972
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79037151
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol (CID 112561370) is 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol is CC(C)(C)N1CCN(CC(O)CCl)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol?
The InChIKey is HREWMSFIEDUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O/c1-11(2,3)14-6-4-13(5-7-14)9-10(15)8-12/h10,15H,4-9H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol?
1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol has a molecular weight of 234.77 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol is sourced from PubChem (CID 112561370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).