1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine

C14H23N3 — CID 58798727

IUPAC1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C14H23N3/c1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17/h5-6,11H,7-10H2,1-4H3
InChIKeyFAYYGBYAEGGOSJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.13
Rot. Bonds1

About 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine

1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine (PubChem CID 58798727) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
PubChem CID58798727
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C14H23N3/c1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17/h5-6,11H,7-10H2,1-4H3
InChIKeyFAYYGBYAEGGOSJ-UHFFFAOYSA-N
XLogP2.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359
1-(5-tert-butyl-2-pyridinyl)-4-(2-chloroethyl)-1,4-diazepane
CID 107875541
3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 107874264
1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 153436946
2-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-amine
CID 96861611
5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 107875656
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
1-(5-tert-butyl-2-pyridinyl)-N-ethylpiperidin-4-amine
CID 107874233
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine (CID 58798727) is 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine is CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is FAYYGBYAEGGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine?
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 233.36 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 58798727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).