tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate

C17H28N4O2 — CID 104933395

IUPACtert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
SMILESCc1cc(C)c(CN)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-12-10-13(2)19-15(14(12)11-18)20-6-8-21(9-7-20)16(22)23-17(3,4)5/h10H,6-9,11,18H2,1-5H3
InChIKeyFSMQARQZPJMFQQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 104933395) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
PubChem CID104933395
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
SMILESCc1cc(C)c(CN)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-12-10-13(2)19-15(14(12)11-18)20-6-8-21(9-7-20)16(22)23-17(3,4)5/h10H,6-9,11,18H2,1-5H3
InChIKeyFSMQARQZPJMFQQ-UHFFFAOYSA-N
XLogP2.21
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876806
tert-butyl 4-[4-(aminomethyl)-6-methyl-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 104969562
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
tert-butyl 4-(3-chloro-6,7-dimethylquinoxalin-2-yl)piperazine-1-carboxylate
CID 166485451
[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 62968036
tert-butyl 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 137307991
CID 178002085
CID 178002085
tert-butyl 4-[2-(aminomethyl)-3-chlorophenyl]piperazine-1-carboxylate
CID 104933388
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114677807
2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
CID 169299170
tert-butyl 4-[3-amino-4-(aminomethyl)phenyl]piperazine-1-carboxylate
CID 131732196
tert-butyl 4-[3-(aminomethyl)-5-bromophenyl]piperazine-1-carboxylate
CID 102814349

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate (CID 104933395) is tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate is Cc1cc(C)c(CN)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is FSMQARQZPJMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-10-13(2)19-15(14(12)11-18)20-6-8-21(9-7-20)16(22)23-17(3,4)5/h10H,6-9,11,18H2,1-5H3.
What are the key properties of tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 104933395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).