N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine

C14H24N4 — CID 58709836

IUPACN-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
SMILESCN1CCN(c2cc(NC(C)(C)C)ccn2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)16-12-5-6-15-13(11-12)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3,(H,15,16)
InChIKeyNFWNKJMVXBYGKL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds2

About N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine

N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine (PubChem CID 58709836) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
PubChem CID58709836
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
SMILESCN1CCN(c2cc(NC(C)(C)C)ccn2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)16-12-5-6-15-13(11-12)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3,(H,15,16)
InChIKeyNFWNKJMVXBYGKL-UHFFFAOYSA-N
XLogP2.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62279824
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid
CID 142770526
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285764

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
The IUPAC name of N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine (CID 58709836) is N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine.
What is the SMILES notation for N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
The canonical SMILES for N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine is CN1CCN(c2cc(NC(C)(C)C)ccn2)CC1.
What is the InChIKey of N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
The InChIKey is NFWNKJMVXBYGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(2,3)16-12-5-6-15-13(11-12)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine is sourced from PubChem (CID 58709836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).