(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride

C12H27ClN2 — CID 131020637

IUPAC(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride
SMILESCC(C)CC(C)N1[C@H](C)CNC[C@@H]1C.Cl
InChIInChI=1S/C12H26N2.ClH/c1-9(2)6-10(3)14-11(4)7-13-8-12(14)5;/h9-13H,6-8H2,1-5H3;1H/t10?,11-,12+;
InChIKeyHKEIKOXSHKGVDW-YSEZWWCESA-N
MW234.81 g/mol
LogP2.53
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride

(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride (PubChem CID 131020637) has the molecular formula C12H27ClN2 and a molecular weight of 234.81 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride
PubChem CID131020637
Molecular FormulaC12H27ClN2
Molecular Weight234.81 g/mol
Exact Mass234.19
IUPAC Name(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride
SMILESCC(C)CC(C)N1[C@H](C)CNC[C@@H]1C.Cl
InChIInChI=1S/C12H26N2.ClH/c1-9(2)6-10(3)14-11(4)7-13-8-12(14)5;/h9-13H,6-8H2,1-5H3;1H/t10?,11-,12+;
InChIKeyHKEIKOXSHKGVDW-YSEZWWCESA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylpiperazin-1-yl)propanal
CID 174654248
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
2,5,5-trimethyl-1-(4-methylpentan-2-yl)piperazine
CID 64934237
(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
1-(azetidin-3-yl)-3-methylbutan-1-amine
CID 116935262
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
1,4-bis(4-methylpentan-2-yl)piperazine
CID 3064079
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
CID 130616499
N-methyl-N-(4-methylpentan-2-yl)azetidin-3-amine
CID 62784615
1,6-dimethylpiperazine-2-thiol
CID 142071790

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride?
The IUPAC name of (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride (CID 131020637) is (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride?
The canonical SMILES for (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride is CC(C)CC(C)N1[C@H](C)CNC[C@@H]1C.Cl.
What is the InChIKey of (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride?
The InChIKey is HKEIKOXSHKGVDW-YSEZWWCESA-N. The full InChI is InChI=1S/C12H26N2.ClH/c1-9(2)6-10(3)14-11(4)7-13-8-12(14)5;/h9-13H,6-8H2,1-5H3;1H/t10?,11-,12+;.
What are the key properties of (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride?
(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride has a molecular weight of 234.81 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 131020637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).