(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride

C10H23ClN2 — CID 130616499

IUPAC(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
SMILESCCCCN1[C@H](C)CNC[C@@H]1C.Cl
InChIInChI=1S/C10H22N2.ClH/c1-4-5-6-12-9(2)7-11-8-10(12)3;/h9-11H,4-8H2,1-3H3;1H/t9-,10+;
InChIKeyRZSMMXDLDIAYOM-JMVWIVNTSA-N
MW206.76 g/mol
LogP1.89
Rot. Bonds3

About (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride

(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride (PubChem CID 130616499) has the molecular formula C10H23ClN2 and a molecular weight of 206.76 g/mol. Its IUPAC name is (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
PubChem CID130616499
Molecular FormulaC10H23ClN2
Molecular Weight206.76 g/mol
Exact Mass206.15
IUPAC Name(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
SMILESCCCCN1[C@H](C)CNC[C@@H]1C.Cl
InChIInChI=1S/C10H22N2.ClH/c1-4-5-6-12-9(2)7-11-8-10(12)3;/h9-11H,4-8H2,1-3H3;1H/t9-,10+;
InChIKeyRZSMMXDLDIAYOM-JMVWIVNTSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
CID 63909068
(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine
CID 130652432
4-(2,6-dimethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355088
2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 63911805
1-hexyl-2,6-dimethylpiperidine
CID 6428887
methyl 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120844726
2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116616936
1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
CID 103815489
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride?
The IUPAC name of (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride (CID 130616499) is (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride.
What is the SMILES notation for (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride?
The canonical SMILES for (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride is CCCCN1[C@H](C)CNC[C@@H]1C.Cl.
What is the InChIKey of (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride?
The InChIKey is RZSMMXDLDIAYOM-JMVWIVNTSA-N. The full InChI is InChI=1S/C10H22N2.ClH/c1-4-5-6-12-9(2)7-11-8-10(12)3;/h9-11H,4-8H2,1-3H3;1H/t9-,10+;.
What are the key properties of (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride?
(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride has a molecular weight of 206.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 130616499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).