1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine

C30H60N6 — CID 135279303

IUPAC1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine
SMILESCC(CCC(C)(C)CN1CC(N2CCN(C(C)(C)C)CC2)C1)N1CCN(C2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C30H60N6/c1-25(32-12-14-33(15-13-32)27-22-36(23-27)29(5,6)7)10-11-30(8,9)24-31-20-26(21-31)34-16-18-35(19-17-34)28(2,3)4/h25-27H,10-24H2,1-9H3
InChIKeyONUFFZMPFKTYNF-UHFFFAOYSA-N
MW504.85 g/mol
LogP3.38
Rot. Bonds8

About 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine

1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine (PubChem CID 135279303) has the molecular formula C30H60N6 and a molecular weight of 504.85 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine
PubChem CID135279303
Molecular FormulaC30H60N6
Molecular Weight504.85 g/mol
Exact Mass504.49
IUPAC Name1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine
SMILESCC(CCC(C)(C)CN1CC(N2CCN(C(C)(C)C)CC2)C1)N1CCN(C2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C30H60N6/c1-25(32-12-14-33(15-13-32)27-22-36(23-27)29(5,6)7)10-11-30(8,9)24-31-20-26(21-31)34-16-18-35(19-17-34)28(2,3)4/h25-27H,10-24H2,1-9H3
InChIKeyONUFFZMPFKTYNF-UHFFFAOYSA-N
XLogP3.38
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.85
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine
CID 172511600
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
4-(4-tert-butylpiperazin-1-yl)pentan-1-amine
CID 62463192
5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine
CID 167254513
4-(4-tert-butylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62463195
1-(1-tert-butylazetidin-3-yl)-4,4-dimethylpiperidine
CID 166567337
3-tert-butyl-8-[(4-tert-butylpiperazin-1-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841896
4-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 55072549
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 55072104

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine (CID 135279303) is 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine is CC(CCC(C)(C)CN1CC(N2CCN(C(C)(C)C)CC2)C1)N1CCN(C2CN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine?
The InChIKey is ONUFFZMPFKTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N6/c1-25(32-12-14-33(15-13-32)27-22-36(23-27)29(5,6)7)10-11-30(8,9)24-31-20-26(21-31)34-16-18-35(19-17-34)28(2,3)4/h25-27H,10-24H2,1-9H3.
What are the key properties of 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine?
1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine has a molecular weight of 504.85 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 135279303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).