1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine

C17H29N3O — CID 171718919

IUPAC1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine
SMILESCC(C)(C)N1CCN(CCOCCc2ccccn2)CC1
InChIInChI=1S/C17H29N3O/c1-17(2,3)20-11-9-19(10-12-20)13-15-21-14-7-16-6-4-5-8-18-16/h4-6,8H,7,9-15H2,1-3H3
InChIKeyNNBFTZUGANDKKZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.06
Rot. Bonds6

About 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine

1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine (PubChem CID 171718919) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine
PubChem CID171718919
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine
SMILESCC(C)(C)N1CCN(CCOCCc2ccccn2)CC1
InChIInChI=1S/C17H29N3O/c1-17(2,3)20-11-9-19(10-12-20)13-15-21-14-7-16-6-4-5-8-18-16/h4-6,8H,7,9-15H2,1-3H3
InChIKeyNNBFTZUGANDKKZ-UHFFFAOYSA-N
XLogP2.06
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-tert-butyl-4-[3-(3-tert-butylphenoxy)propyl]piperazine
CID 135165094
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
CID 55205458
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
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-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine (CID 171718919) is 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine is CC(C)(C)N1CCN(CCOCCc2ccccn2)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine?
The InChIKey is NNBFTZUGANDKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)20-11-9-19(10-12-20)13-15-21-14-7-16-6-4-5-8-18-16/h4-6,8H,7,9-15H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine?
1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine has a molecular weight of 291.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine is sourced from PubChem (CID 171718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).