1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine

C20H41N3 — CID 129100137

IUPAC1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine
SMILESCC(CC(C)(C)C1CCN(C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H41N3/c1-17(22-12-14-23(15-13-22)19(2,3)4)16-20(5,6)18-8-10-21(7)11-9-18/h17-18H,8-16H2,1-7H3
InChIKeyLDSBXZTVDUEVPZ-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.55
Rot. Bonds4

About 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine

1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine (PubChem CID 129100137) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine
PubChem CID129100137
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine
SMILESCC(CC(C)(C)C1CCN(C)CC1)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H41N3/c1-17(22-12-14-23(15-13-22)19(2,3)4)16-20(5,6)18-8-10-21(7)11-9-18/h17-18H,8-16H2,1-7H3
InChIKeyLDSBXZTVDUEVPZ-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-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine
CID 129100136
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine
CID 146604413
N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 55072104
1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
CID 138623766
4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64726696
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
N-[2-(4-tert-butylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62463018
4-(4-tert-butylpiperazin-1-yl)pentan-1-amine
CID 62463192
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
methyl 2-amino-4-(4-tert-butylpiperazin-1-yl)-2-methylpentanoate
CID 64709909

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine (CID 129100137) is 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine is CC(CC(C)(C)C1CCN(C)CC1)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine?
The InChIKey is LDSBXZTVDUEVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-17(22-12-14-23(15-13-22)19(2,3)4)16-20(5,6)18-8-10-21(7)11-9-18/h17-18H,8-16H2,1-7H3.
What are the key properties of 1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine?
1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine 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-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine is sourced from PubChem (CID 129100137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).