1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine

C20H41N3 — CID 166875797

IUPAC1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
SMILESCC(C)(C)N1CCC(CCCN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-19(2,3)22-12-9-18(10-13-22)8-7-11-21-14-16-23(17-15-21)20(4,5)6/h18H,7-17H2,1-6H3
InChIKeyNUXPBKYTSINFJF-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.69
Rot. Bonds4

About 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine

1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine (PubChem CID 166875797) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
PubChem CID166875797
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
SMILESCC(C)(C)N1CCC(CCCN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-19(2,3)22-12-9-18(10-13-22)8-7-11-21-14-16-23(17-15-21)20(4,5)6/h18H,7-17H2,1-6H3
InChIKeyNUXPBKYTSINFJF-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(3-iodopropyl)piperidine
CID 118498974
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine
CID 155215089
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
1-tert-butyl-4-propylpiperazine
CID 58721754
1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine
CID 146548352
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine
CID 146520434
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine (CID 166875797) is 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine is CC(C)(C)N1CCC(CCCN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine?
The InChIKey is NUXPBKYTSINFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-19(2,3)22-12-9-18(10-13-22)8-7-11-21-14-16-23(17-15-21)20(4,5)6/h18H,7-17H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine?
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine has a molecular weight of 323.57 g/mol, XLogP of 3.69, 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-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine is sourced from PubChem (CID 166875797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).