(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

C15H32N2O — CID 170669697

IUPAC(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESC[C@H]1CN(CCOC(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-13-12-16(10-11-18-15(5,6)7)8-9-17(13)14(2,3)4/h13H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyNHXNKRVNHASRRQ-ZDUSSCGKSA-N
MW256.43 g/mol
LogP2.61
Rot. Bonds3

About (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (PubChem CID 170669697) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.

Molecular Properties

Compound Name(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
PubChem CID170669697
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESC[C@H]1CN(CCOC(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-13-12-16(10-11-18-15(5,6)7)8-9-17(13)14(2,3)4/h13H,8-12H2,1-7H3/t13-/m0/s1
InChIKeyNHXNKRVNHASRRQ-ZDUSSCGKSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 121261181
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591814
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
CID 159242052
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholin-2-yl]ethanamine
CID 112590973
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]ethanamine
CID 114802641
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]methyl]ethanamine
CID 112589860

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The IUPAC name of (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (CID 170669697) is (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.
What is the SMILES notation for (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The canonical SMILES for (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is C[C@H]1CN(CCOC(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The InChIKey is NHXNKRVNHASRRQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13-12-16(10-11-18-15(5,6)7)8-9-17(13)14(2,3)4/h13H,8-12H2,1-7H3/t13-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine has a molecular weight of 256.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is sourced from PubChem (CID 170669697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).