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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Related Compounds

2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 126654366
2-[6-[(3S)-4-(4-tert-butylpiperazin-1-yl)-3-methylpiperidin-1-yl]-2,5,5-trimethylhexan-2-yl]-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 134339699
2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone
CID 159887139
3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine
CID 79467792
(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone
CID 171429799
1-methyl-4-[(2S)-2-methyl-1-(2-methylpropyl)piperidin-4-yl]piperazine
CID 149237243
4-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpiperidin-1-amine
CID 146369185
1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
CID 166864352
2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 155773686
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-(1-tert-butylazetidin-3-yl)-4-[4-[4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazin-1-yl]-2,4-dimethylpentan-2-yl]piperazine
CID 138657278
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588

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).