(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine

C13H26N2 — CID 170195604

IUPAC(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(C(C)C)N1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C13H26N2/c1-10(2)13(6)15-8-7-14(11(3)4)9-12(15)5/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyFQNCBUNZLKIZRL-GFCCVEGCSA-N
MW210.36 g/mol
LogP2.57
Rot. Bonds3

About (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine

(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine (PubChem CID 170195604) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
PubChem CID170195604
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(C(C)C)N1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C13H26N2/c1-10(2)13(6)15-8-7-14(11(3)4)9-12(15)5/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyFQNCBUNZLKIZRL-GFCCVEGCSA-N
XLogP2.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine
CID 174071797
4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide
CID 142388351
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2S,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 158704033
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
(2R)-2-methyl-4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 169054191
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 68817055
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine (CID 170195604) is (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine is C=C(C(C)C)N1CCN(C(C)C)C[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is FQNCBUNZLKIZRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)13(6)15-8-7-14(11(3)4)9-12(15)5/h10-12H,6-9H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine?
(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 170195604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).