1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine

C19H39N3 — CID 134413729

IUPAC1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
SMILESC[C@H]1CC(N2CCN(C(C)(C)C)CC2)CCN1CC(C)(C)C
InChIInChI=1S/C19H39N3/c1-16-14-17(8-9-21(16)15-18(2,3)4)20-10-12-22(13-11-20)19(5,6)7/h16-17H,8-15H2,1-7H3/t16-,17?/m0/s1
InChIKeyQUAPZZRHBUQLHI-BHWOMJMDSA-N
MW309.54 g/mol
LogP3.30
Rot. Bonds2

About 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine

1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine (PubChem CID 134413729) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
PubChem CID134413729
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
SMILESC[C@H]1CC(N2CCN(C(C)(C)C)CC2)CCN1CC(C)(C)C
InChIInChI=1S/C19H39N3/c1-16-14-17(8-9-21(16)15-18(2,3)4)20-10-12-22(13-11-20)19(5,6)7/h16-17H,8-15H2,1-7H3/t16-,17?/m0/s1
InChIKeyQUAPZZRHBUQLHI-BHWOMJMDSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine (CID 134413729) is 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine is C[C@H]1CC(N2CCN(C(C)(C)C)CC2)CCN1CC(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine?
The InChIKey is QUAPZZRHBUQLHI-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H39N3/c1-16-14-17(8-9-21(16)15-18(2,3)4)20-10-12-22(13-11-20)19(5,6)7/h16-17H,8-15H2,1-7H3/t16-,17?/m0/s1.
What are the key properties of 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine?
1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine has a molecular weight of 309.54 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine is sourced from PubChem (CID 134413729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).