N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C16H28N4 — CID 105073916

IUPACN-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H28N4/c1-13(2)18-10-14-6-7-17-11-15(14)20-9-8-19(5)16(3,4)12-20/h6-7,11,13,18H,8-10,12H2,1-5H3
InChIKeyQRDNMRIPQNDCBJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds4

About N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105073916) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105073916
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCN(C)C(C)(C)C1
InChIInChI=1S/C16H28N4/c1-13(2)18-10-14-6-7-17-11-15(14)20-9-8-19(5)16(3,4)12-20/h6-7,11,13,18H,8-10,12H2,1-5H3
InChIKeyQRDNMRIPQNDCBJ-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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 105073916) is N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccncc1N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is QRDNMRIPQNDCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)18-10-14-6-7-17-11-15(14)20-9-8-19(5)16(3,4)12-20/h6-7,11,13,18H,8-10,12H2,1-5H3.
What are the key properties of N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine 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-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105073916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).