1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine

C12H26N2 — CID 64925311

IUPAC1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC(C)(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-10(2)11-8-14(7-6-13-11)9-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyMWZCYJYBNNKJOF-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine

1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine (PubChem CID 64925311) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
PubChem CID64925311
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC(C)(C)C)CCN1
InChIInChI=1S/C12H26N2/c1-10(2)11-8-14(7-6-13-11)9-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyMWZCYJYBNNKJOF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-2-methylpropyl)-3-propan-2-ylpiperazine
CID 104766328
1-(2,2-dimethylpropyl)-3-methylpiperazine
CID 59519991
1-[(3S)-3-propan-2-ylpiperazin-1-yl]propan-2-amine
CID 130676072
(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
CID 130735647
1-(2-ethoxy-2-methylpropyl)-3-propan-2-yl-1,4-diazepane
CID 114944367
1-(2-cyclohexylethyl)-3-propan-2-ylpiperazine
CID 64925108
1-(7-methyloctyl)-3-propan-2-ylpiperazine
CID 107818463
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-(2,2-dimethylpropyl)-3-propylpiperazine
CID 64925908
3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64834410
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine
CID 106440306

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine (CID 64925311) is 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine is CC(C)C1CN(CC(C)(C)C)CCN1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine?
The InChIKey is MWZCYJYBNNKJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)11-8-14(7-6-13-11)9-12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine?
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 64925311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).