methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate

C13H19N3O2 — CID 79245399

IUPACmethyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cc(N)ccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)10-3-6-16(7-4-10)9-12-8-11(14)2-5-15-12/h2,5,8,10H,3-4,6-7,9H2,1H3,(H2,14,15)
InChIKeyUSBIVKAOTAUASC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds3

About methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate

methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate (PubChem CID 79245399) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate
PubChem CID79245399
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cc(N)ccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)10-3-6-16(7-4-10)9-12-8-11(14)2-5-15-12/h2,5,8,10H,3-4,6-7,9H2,1H3,(H2,14,15)
InChIKeyUSBIVKAOTAUASC-UHFFFAOYSA-N
XLogP1.05
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 79245074
2-(azepan-1-ylmethyl)pyridin-4-amine
CID 79244961
ethyl 4-[(4-amino-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 107877724
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
CID 79251522
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
methyl 1-[(2-bromo-3-methoxy-4-pyridinyl)methyl]piperidine-4-carboxylate
CID 166066403
1-[4-[(4-amino-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79251536
methyl 2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxylate
CID 15123252
2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
CID 79251366
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate (CID 79245399) is methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2cc(N)ccn2)CC1.
What is the InChIKey of methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate?
The InChIKey is USBIVKAOTAUASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(17)10-3-6-16(7-4-10)9-12-8-11(14)2-5-15-12/h2,5,8,10H,3-4,6-7,9H2,1H3,(H2,14,15).
What are the key properties of methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate?
methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 79245399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).