(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine

C11H25N3 — CID 94197824

IUPAC(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H25N3/c1-10(12)9-13-5-7-14(8-6-13)11(2,3)4/h10H,5-9,12H2,1-4H3/t10-/m0/s1
InChIKeyJJOJGOIQVRCZMS-JTQLQIEISA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds2

About (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine

(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine (PubChem CID 94197824) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
PubChem CID94197824
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H25N3/c1-10(12)9-13-5-7-14(8-6-13)11(2,3)4/h10H,5-9,12H2,1-4H3/t10-/m0/s1
InChIKeyJJOJGOIQVRCZMS-JTQLQIEISA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
CID 61432891
3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
CID 61432783
1-tert-butyl-3-(2-methylpropyl)imidazolidine
CID 130368535
1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
CID 112561370
4-(2-aminopropyl)piperazine-1-carbaldehyde
CID 21054639
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
1-[4-(2-aminopropyl)piperazin-1-yl]ethanone
CID 16787068
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
1-tert-butyl-4-(fluoromethyl)piperazine
CID 171581155
(2R)-1-(6-azaspiro[2.5]octan-6-yl)propan-2-amine
CID 122669555

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine (CID 94197824) is (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine is C[C@H](N)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine?
The InChIKey is JJOJGOIQVRCZMS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25N3/c1-10(12)9-13-5-7-14(8-6-13)11(2,3)4/h10H,5-9,12H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine?
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 94197824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).