1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine

C17H35N3 — CID 155215089

IUPAC1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine
SMILESCCCCN1CC(CCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-5-6-8-19-14-16(15-19)7-9-18-10-12-20(13-11-18)17(2,3)4/h16H,5-15H2,1-4H3
InChIKeyZULOQWCJONTLSK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.52
Rot. Bonds6

About 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine

1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine (PubChem CID 155215089) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine
PubChem CID155215089
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine
SMILESCCCCN1CC(CCN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-5-6-8-19-14-16(15-19)7-9-18-10-12-20(13-11-18)17(2,3)4/h16H,5-15H2,1-4H3
InChIKeyZULOQWCJONTLSK-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
1-tert-butyl-4-propylpiperazine
CID 58721754
1-tert-butyl-4-(7-methyloctyl)piperazine
CID 138467260
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine
CID 146520434
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperazine
CID 166788259
1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 167620888

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine (CID 155215089) is 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine is CCCCN1CC(CCN2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine?
The InChIKey is ZULOQWCJONTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-6-8-19-14-16(15-19)7-9-18-10-12-20(13-11-18)17(2,3)4/h16H,5-15H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine?
1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine is sourced from PubChem (CID 155215089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).