(2S,5S)-2,5-bis(2-methylpropyl)piperazine

C12H26N2 — CID 15129307

IUPAC(2S,5S)-2,5-bis(2-methylpropyl)piperazine
SMILESCC(C)C[C@H]1CN[C@@H](CC(C)C)CN1
InChIInChI=1S/C12H26N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h9-14H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyPCIZNFXJQOGTNN-RYUDHWBXSA-N
MW198.35 g/mol
LogP2.01
Rot. Bonds4

About (2S,5S)-2,5-bis(2-methylpropyl)piperazine

(2S,5S)-2,5-bis(2-methylpropyl)piperazine (PubChem CID 15129307) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (2S,5S)-2,5-bis(2-methylpropyl)piperazine.

Molecular Properties

Compound Name(2S,5S)-2,5-bis(2-methylpropyl)piperazine
PubChem CID15129307
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(2S,5S)-2,5-bis(2-methylpropyl)piperazine
SMILESCC(C)C[C@H]1CN[C@@H](CC(C)C)CN1
InChIInChI=1S/C12H26N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h9-14H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyPCIZNFXJQOGTNN-RYUDHWBXSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
1,2-Ethanediamine, N,N'-bis(1,3-dimethylbutyl)-
CID 469907
2,5-Dimethylpiperidine
CID 524018
2,4,6-Trimethylpiperidine
CID 89562
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
N1-(4-piperidinylmethyl)-1,2-ethanediamine
CID 252485
1,3-Dimethylpiperidin-4-amine
CID 23008883
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-bis(2-methylpropyl)piperazine?
The IUPAC name of (2S,5S)-2,5-bis(2-methylpropyl)piperazine (CID 15129307) is (2S,5S)-2,5-bis(2-methylpropyl)piperazine.
What is the SMILES notation for (2S,5S)-2,5-bis(2-methylpropyl)piperazine?
The canonical SMILES for (2S,5S)-2,5-bis(2-methylpropyl)piperazine is CC(C)C[C@H]1CN[C@@H](CC(C)C)CN1.
What is the InChIKey of (2S,5S)-2,5-bis(2-methylpropyl)piperazine?
The InChIKey is PCIZNFXJQOGTNN-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)5-11-7-14-12(8-13-11)6-10(3)4/h9-14H,5-8H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2S,5S)-2,5-bis(2-methylpropyl)piperazine?
(2S,5S)-2,5-bis(2-methylpropyl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-bis(2-methylpropyl)piperazine is sourced from PubChem (CID 15129307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).