1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine

C20H41N3 — CID 129100136

IUPAC1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine
SMILESCC(CC(C)(C)N1CCN(C)CC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H41N3/c1-17(22-10-8-18(9-11-22)19(2,3)4)16-20(5,6)23-14-12-21(7)13-15-23/h17-18H,8-16H2,1-7H3
InChIKeyRTNXYZXUYQVJDU-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.55
Rot. Bonds4

About 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine

1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine (PubChem CID 129100136) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine
PubChem CID129100136
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine
SMILESCC(CC(C)(C)N1CCN(C)CC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H41N3/c1-17(22-10-8-18(9-11-22)19(2,3)4)16-20(5,6)23-14-12-21(7)13-15-23/h17-18H,8-16H2,1-7H3
InChIKeyRTNXYZXUYQVJDU-UHFFFAOYSA-N
XLogP3.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine
CID 129100137
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
CID 62569931
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
4-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 62411940
2-amino-4-(4-tert-butylazepan-1-yl)-2-methylpentanenitrile
CID 64728336
N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
CID 63503555
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
CID 162008931
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
CID 62437742
1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
CID 138623766
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol
CID 64898727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine (CID 129100136) is 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine is CC(CC(C)(C)N1CCN(C)CC1)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine?
The InChIKey is RTNXYZXUYQVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-17(22-10-8-18(9-11-22)19(2,3)4)16-20(5,6)23-14-12-21(7)13-15-23/h17-18H,8-16H2,1-7H3.
What are the key properties of 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine?
1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine has a molecular weight of 323.57 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 129100136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).