3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine

C17H30N4 — CID 107874264

IUPAC3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C17H30N4/c1-14(11-18)13-20-7-9-21(10-8-20)16-6-5-15(12-19-16)17(2,3)4/h5-6,12,14H,7-11,13,18H2,1-4H3
InChIKeyYLEBLPRVDAXHBN-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.10
Rot. Bonds4

About 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine

3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 107874264) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID107874264
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(c2ccc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C17H30N4/c1-14(11-18)13-20-7-9-21(10-8-20)16-6-5-15(12-19-16)17(2,3)4/h5-6,12,14H,7-11,13,18H2,1-4H3
InChIKeyYLEBLPRVDAXHBN-UHFFFAOYSA-N
XLogP2.10
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 153436946
2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
CID 61312903
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 114868973
1-(5-tert-butyl-2-pyridinyl)-4-(2-chloroethyl)-1,4-diazepane
CID 107875541
1-(4-methoxy-2,4-dimethylpentyl)-4-(5-methoxy-2-pyridinyl)piperazine
CID 142385803
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
1-[5-(2,3-dimethylbutan-2-yl)-2-pyridinyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 59019360
2-[1-(5-tert-butyl-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 107875698
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 107874264) is 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(CN)CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is YLEBLPRVDAXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14(11-18)13-20-7-9-21(10-8-20)16-6-5-15(12-19-16)17(2,3)4/h5-6,12,14H,7-11,13,18H2,1-4H3.
What are the key properties of 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine?
3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 107874264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).