ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate

C14H20ClN3O2 — CID 62892331

IUPACethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc(N)ccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O2/c1-2-20-14(19)10-5-7-18(8-6-10)9-12-11(15)3-4-13(16)17-12/h3-4,10H,2,5-9H2,1H3,(H2,16,17)
InChIKeyQGCZMFNQPGDYJX-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.09
Rot. Bonds4

About ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate

ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate (PubChem CID 62892331) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
PubChem CID62892331
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Nameethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nc(N)ccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O2/c1-2-20-14(19)10-5-7-18(8-6-10)9-12-11(15)3-4-13(16)17-12/h3-4,10H,2,5-9H2,1H3,(H2,16,17)
InChIKeyQGCZMFNQPGDYJX-UHFFFAOYSA-N
XLogP2.09
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 63010267
ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80657136
5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
CID 103538581
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55127735
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 1080789
ethyl 1-[(3-ethylimidazol-4-yl)methyl]piperidine-4-carboxylate
CID 66155315
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
ethyl 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62892694
ethyl 1-[(7-hydroxyisoquinolin-3-yl)methyl]piperidine-4-carboxylate
CID 126757467

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate (CID 62892331) is ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2nc(N)ccc2Cl)CC1.
What is the InChIKey of ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
The InChIKey is QGCZMFNQPGDYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-20-14(19)10-5-7-18(8-6-10)9-12-11(15)3-4-13(16)17-12/h3-4,10H,2,5-9H2,1H3,(H2,16,17).
What are the key properties of ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate has a molecular weight of 297.79 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 62892331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).