1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine

C17H30N4 — CID 115939349

IUPAC1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(N2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H30N4/c1-6-15(18-5)16-8-7-14(13-19-16)20-9-11-21(12-10-20)17(2,3)4/h7-8,13,15,18H,6,9-12H2,1-5H3
InChIKeyOUTSQRNAEDYLKD-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.67
Rot. Bonds4

About 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine

1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine (PubChem CID 115939349) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine
PubChem CID115939349
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(N2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H30N4/c1-6-15(18-5)16-8-7-14(13-19-16)20-9-11-21(12-10-20)17(2,3)4/h7-8,13,15,18H,6,9-12H2,1-5H3
InChIKeyOUTSQRNAEDYLKD-UHFFFAOYSA-N
XLogP2.67
TPSA31.40 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111380
1-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 115939404
3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
CID 112584497
N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
CID 115939594
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
CID 112584096
8-[6-[1-(methylamino)propyl]-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 115939641
N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine
CID 115939817
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163
1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine
CID 139538940
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939650

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine (CID 115939349) is 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(N2CCN(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine?
The InChIKey is OUTSQRNAEDYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-15(18-5)16-8-7-14(13-19-16)20-9-11-21(12-10-20)17(2,3)4/h7-8,13,15,18H,6,9-12H2,1-5H3.
What are the key properties of 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine?
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115939349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).