(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine

C20H41N3 — CID 146549044

IUPAC(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(CC2CCN(C(C)(C)C)CC2)C[C@H](C)N1C(C)(C)C
InChIInChI=1S/C20H41N3/c1-16-13-21(14-17(2)23(16)20(6,7)8)15-18-9-11-22(12-10-18)19(3,4)5/h16-18H,9-15H2,1-8H3/t16-,17+
InChIKeySQTSHLMGRPFCRM-CALCHBBNSA-N
MW323.57 g/mol
LogP3.69
Rot. Bonds2

About (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine

(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine (PubChem CID 146549044) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
PubChem CID146549044
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(CC2CCN(C(C)(C)C)CC2)C[C@H](C)N1C(C)(C)C
InChIInChI=1S/C20H41N3/c1-16-13-21(14-17(2)23(16)20(6,7)8)15-18-9-11-22(12-10-18)19(3,4)5/h16-18H,9-15H2,1-8H3/t16-,17+
InChIKeySQTSHLMGRPFCRM-CALCHBBNSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146548367
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 176629920
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane
CID 176634054
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
The IUPAC name of (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine (CID 146549044) is (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine.
What is the SMILES notation for (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
The canonical SMILES for (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine is C[C@@H]1CN(CC2CCN(C(C)(C)C)CC2)C[C@H](C)N1C(C)(C)C.
What is the InChIKey of (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
The InChIKey is SQTSHLMGRPFCRM-CALCHBBNSA-N. The full InChI is InChI=1S/C20H41N3/c1-16-13-21(14-17(2)23(16)20(6,7)8)15-18-9-11-22(12-10-18)19(3,4)5/h16-18H,9-15H2,1-8H3/t16-,17+.
What are the key properties of (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine?
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine has a molecular weight of 323.57 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine is sourced from PubChem (CID 146549044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).