2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine

C17H30N4 — CID 79245524

IUPAC2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H30N4/c1-5-7-18-15-6-8-19-16(13-15)14-20-9-11-21(12-10-20)17(2,3)4/h6,8,13H,5,7,9-12,14H2,1-4H3,(H,18,19)
InChIKeyKRAWFOOKWGQUOI-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.82
Rot. Bonds5

About 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine

2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine (PubChem CID 79245524) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
PubChem CID79245524
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H30N4/c1-5-7-18-15-6-8-19-16(13-15)14-20-9-11-21(12-10-20)17(2,3)4/h6,8,13H,5,7,9-12,14H2,1-4H3,(H,18,19)
InChIKeyKRAWFOOKWGQUOI-UHFFFAOYSA-N
XLogP2.82
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
CID 79244278
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine
CID 79245640
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929
2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514
3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 79251550
N-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79251269
2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251814
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79245636
N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251471
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 83221527
1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione
CID 79941396
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79245125

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine (CID 79245524) is 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine?
The InChIKey is KRAWFOOKWGQUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-7-18-15-6-8-19-16(13-15)14-20-9-11-21(12-10-20)17(2,3)4/h6,8,13H,5,7,9-12,14H2,1-4H3,(H,18,19).
What are the key properties of 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine?
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79245524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).