(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine

C10H20N2 — CID 130652432

IUPAC(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine
SMILESC=CCCN1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C10H20N2/c1-4-5-6-12-9(2)7-11-8-10(12)3/h4,9-11H,1,5-8H2,2-3H3/t9-,10+
InChIKeyQHEWGAKYGZRZSB-AOOOYVTPSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds3

About (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine

(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine (PubChem CID 130652432) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine
PubChem CID130652432
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine
SMILESC=CCCN1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C10H20N2/c1-4-5-6-12-9(2)7-11-8-10(12)3/h4,9-11H,1,5-8H2,2-3H3/t9-,10+
InChIKeyQHEWGAKYGZRZSB-AOOOYVTPSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
CID 130616499
4-(2,6-dimethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355088
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
2,6-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 63911805
2,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116616936
1-(3-chloroprop-2-enyl)-2,6-dimethylpiperazine
CID 77012948
1-(2-tert-butylsulfonylethyl)-2,6-dimethylpiperazine
CID 103815489
2,6-dimethyl-1-prop-2-ynylpiperazine
CID 63911212
4-but-3-enyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;hydrochloride
CID 131107710
(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
CID 99602422

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine?
The IUPAC name of (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine (CID 130652432) is (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine.
What is the SMILES notation for (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine?
The canonical SMILES for (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine is C=CCCN1[C@H](C)CNC[C@@H]1C.
What is the InChIKey of (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine?
The InChIKey is QHEWGAKYGZRZSB-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-6-12-9(2)7-11-8-10(12)3/h4,9-11H,1,5-8H2,2-3H3/t9-,10+.
What are the key properties of (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine?
(2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-but-3-enyl-2,6-dimethylpiperazine is sourced from PubChem (CID 130652432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).