methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate

C11H16N4O2 — CID 70886809

IUPACmethyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccncc2N)CCN1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-7-15(5-4-14-9)10-2-3-13-6-8(10)12/h2-3,6,9,14H,4-5,7,12H2,1H3
InChIKeyDSKIFTJBFJCKRL-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.38
Rot. Bonds2

About methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate

methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate (PubChem CID 70886809) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate
PubChem CID70886809
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Namemethyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccncc2N)CCN1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-7-15(5-4-14-9)10-2-3-13-6-8(10)12/h2-3,6,9,14H,4-5,7,12H2,1H3
InChIKeyDSKIFTJBFJCKRL-UHFFFAOYSA-N
XLogP-0.38
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-amino-4-pyridinyl)piperazin-2-yl]methanol
CID 70886811
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
methyl 4-(isoquinolin-5-ylmethyl)piperazine-2-carboxylate
CID 71096119
7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091949
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174794058
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
CID 90281047
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid
CID 67347099
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
CID 160643676
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
CID 43462466

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate (CID 70886809) is methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate is COC(=O)C1CN(c2ccncc2N)CCN1.
What is the InChIKey of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
The InChIKey is DSKIFTJBFJCKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11(16)9-7-15(5-4-14-9)10-2-3-13-6-8(10)12/h2-3,6,9,14H,4-5,7,12H2,1H3.
What are the key properties of methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate?
methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-4-pyridinyl)piperazine-2-carboxylate is sourced from PubChem (CID 70886809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).