(2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine

C14H26N2 — CID 99832760

IUPAC(2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1C[C@H](C)N(CC(=C)C)[C@@H](C)C1
InChIInChI=1S/C14H26N2/c1-11(2)7-15-9-13(5)16(8-12(3)4)14(6)10-15/h13-14H,1,3,7-10H2,2,4-6H3/t13-,14-/m0/s1
InChIKeyYYQARNHGAHEMRM-KBPBESRZSA-N
MW222.38 g/mol
LogP2.53
Rot. Bonds4

About (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine

(2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine (PubChem CID 99832760) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine
PubChem CID99832760
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1C[C@H](C)N(CC(=C)C)[C@@H](C)C1
InChIInChI=1S/C14H26N2/c1-11(2)7-15-9-13(5)16(8-12(3)4)14(6)10-15/h13-14H,1,3,7-10H2,2,4-6H3/t13-,14-/m0/s1
InChIKeyYYQARNHGAHEMRM-KBPBESRZSA-N
XLogP2.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 5452494
CID 783791
Cambridge id 5513707
CID 870776
Cambridge id 5513711
CID 870777
2-Methyl-1,4-bis(prop-2-enyl)piperazine
CID 517346
1,4-Bis(2-methylprop-2-enyl)piperazine
CID 2047144
2-Methyl-1,4-bis(2-methylprop-1-enyl)piperazine
CID 3020087
1-(2-Methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 90245436
1-Propan-2-yl-4-prop-2-enylpiperazine
CID 20613816
1-Pentan-3-yl-4-prop-2-enylpiperazine
CID 20735227
1-Butan-2-yl-4-prop-2-enylpiperazine
CID 166800367
(2R,5S)-2,5-Dimethyl-1,4-di(prop-2-en-1-yl)piperazine
CID 29977824
8-(2-Methylprop-2-enyl)-8-aza-5-azoniaspiro[4.5]decane
CID 44285629

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine?
The IUPAC name of (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine (CID 99832760) is (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine is C=C(C)CN1C[C@H](C)N(CC(=C)C)[C@@H](C)C1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine?
The InChIKey is YYQARNHGAHEMRM-KBPBESRZSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)7-15-9-13(5)16(8-12(3)4)14(6)10-15/h13-14H,1,3,7-10H2,2,4-6H3/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine?
(2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine has a molecular weight of 222.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 99832760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).