N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine

C16H28N4 — CID 75483004

IUPACN-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine
SMILESCC(C)CN1CCCCC1CNC(C)c1cnccn1
InChIInChI=1S/C16H28N4/c1-13(2)12-20-9-5-4-6-15(20)10-19-14(3)16-11-17-7-8-18-16/h7-8,11,13-15,19H,4-6,9-10,12H2,1-3H3
InChIKeyFIHYEKZTAVKWCH-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.64
Rot. Bonds6

About N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine

N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine (PubChem CID 75483004) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine
PubChem CID75483004
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine
SMILESCC(C)CN1CCCCC1CNC(C)c1cnccn1
InChIInChI=1S/C16H28N4/c1-13(2)12-20-9-5-4-6-15(20)10-19-14(3)16-11-17-7-8-18-16/h7-8,11,13-15,19H,4-6,9-10,12H2,1-3H3
InChIKeyFIHYEKZTAVKWCH-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine (CID 75483004) is N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine is CC(C)CN1CCCCC1CNC(C)c1cnccn1.
What is the InChIKey of N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine?
The InChIKey is FIHYEKZTAVKWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)12-20-9-5-4-6-15(20)10-19-14(3)16-11-17-7-8-18-16/h7-8,11,13-15,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine?
N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)piperidin-2-yl]methyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 75483004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).