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

C14H21N3O2 — CID 11149707

IUPACethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)ccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyLNRMJBWADUSJTA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds3

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

ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 11149707) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID11149707
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)ccn2)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyLNRMJBWADUSJTA-UHFFFAOYSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate (CID 11149707) is ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(C)ccn2)CC1.
What is the InChIKey of ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is LNRMJBWADUSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 11149707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).