N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine

C16H28N4 — CID 167173026

IUPACN-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine
SMILESCNCC[C@@H]1CN(C(C)C)CCN1c1ncccc1C
InChIInChI=1S/C16H28N4/c1-13(2)19-10-11-20(15(12-19)7-9-17-4)16-14(3)6-5-8-18-16/h5-6,8,13,15,17H,7,9-12H2,1-4H3/t15-/m1/s1
InChIKeyWGDNONDIAINELG-OAHLLOKOSA-N
MW276.43 g/mol
LogP1.90
Rot. Bonds5

About N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine

N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine (PubChem CID 167173026) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine
PubChem CID167173026
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine
SMILESCNCC[C@@H]1CN(C(C)C)CCN1c1ncccc1C
InChIInChI=1S/C16H28N4/c1-13(2)19-10-11-20(15(12-19)7-9-17-4)16-14(3)6-5-8-18-16/h5-6,8,13,15,17H,7,9-12H2,1-4H3/t15-/m1/s1
InChIKeyWGDNONDIAINELG-OAHLLOKOSA-N
XLogP1.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine (CID 167173026) is N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine is CNCC[C@@H]1CN(C(C)C)CCN1c1ncccc1C.
What is the InChIKey of N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine?
The InChIKey is WGDNONDIAINELG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)19-10-11-20(15(12-19)7-9-17-4)16-14(3)6-5-8-18-16/h5-6,8,13,15,17H,7,9-12H2,1-4H3/t15-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine?
N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine has a molecular weight of 276.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine is sourced from PubChem (CID 167173026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).