2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate

C15H24N4O2 — CID 107355702

IUPAC2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(2)11-21-15(20)19-7-5-18(6-8-19)14-4-3-13(9-16)10-17-14/h3-4,10,12H,5-9,11,16H2,1-2H3
InChIKeyGRBPNXPOPGFMKY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.45
Rot. Bonds4

About 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate

2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 107355702) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID107355702
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(2)11-21-15(20)19-7-5-18(6-8-19)14-4-3-13(9-16)10-17-14/h3-4,10,12H,5-9,11,16H2,1-2H3
InChIKeyGRBPNXPOPGFMKY-UHFFFAOYSA-N
XLogP1.45
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
2-methylpropyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 67198180
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
2-methylpropyl 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 133447740
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
2-methylpropyl 4-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 137257691
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
CID 107355800

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate (CID 107355702) is 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is GRBPNXPOPGFMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(2)11-21-15(20)19-7-5-18(6-8-19)14-4-3-13(9-16)10-17-14/h3-4,10,12H,5-9,11,16H2,1-2H3.
What are the key properties of 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate?
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 107355702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).