N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine

C16H28N4 — CID 81247052

IUPACN-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H28N4/c1-5-17-12-14-13-18-7-6-15(14)19-8-10-20(11-9-19)16(2,3)4/h6-7,13,17H,5,8-12H2,1-4H3
InChIKeyNXYZLDVPCWVCCX-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds4

About N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81247052) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81247052
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H28N4/c1-5-17-12-14-13-18-7-6-15(14)19-8-10-20(11-9-19)16(2,3)4/h6-7,13,17H,5,8-12H2,1-4H3
InChIKeyNXYZLDVPCWVCCX-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247994
N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 81253435
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 81248341
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81248813
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
4-(4-tert-butylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81233072
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
CID 81246777
2-methyl-N-[[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81249938
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 102967603

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 81247052) is N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is NXYZLDVPCWVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-17-12-14-13-18-7-6-15(14)19-8-10-20(11-9-19)16(2,3)4/h6-7,13,17H,5,8-12H2,1-4H3.
What are the key properties of N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81247052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).