1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine

C19H33N3O — CID 153436946

IUPAC1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C19H33N3O/c1-16(2)15-23-13-12-21-8-10-22(11-9-21)18-7-6-17(14-20-18)19(3,4)5/h6-7,14,16H,8-13,15H2,1-5H3
InChIKeyDLLAZPZFLQQJOB-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.17
Rot. Bonds6

About 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine

1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 153436946) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID153436946
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C19H33N3O/c1-16(2)15-23-13-12-21-8-10-22(11-9-21)18-7-6-17(14-20-18)19(3,4)5/h6-7,14,16H,8-13,15H2,1-5H3
InChIKeyDLLAZPZFLQQJOB-UHFFFAOYSA-N
XLogP3.17
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.17
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

1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 107874264
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
1-(5-tert-butyl-2-pyridinyl)-4-(2-chloroethyl)-1,4-diazepane
CID 107875541
4-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]aniline
CID 106453577
5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
CID 107875613
2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 107875698
1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 15951455
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359
5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 107875656
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine (CID 153436946) is 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine is CC(C)COCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is DLLAZPZFLQQJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-16(2)15-23-13-12-21-8-10-22(11-9-21)18-7-6-17(14-20-18)19(3,4)5/h6-7,14,16H,8-13,15H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine?
1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 319.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 153436946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).