methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate

C13H17ClN2O2 — CID 79833064

IUPACmethyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccncc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)12-4-2-3-7-16(12)9-10-5-6-15-8-11(10)14/h5-6,8,12H,2-4,7,9H2,1H3/t12-/m1/s1
InChIKeyRLPQNBAPEIXHCK-GFCCVEGCSA-N
MW268.74 g/mol
LogP2.26
Rot. Bonds3

About methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate (PubChem CID 79833064) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
PubChem CID79833064
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Namemethyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccncc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)12-4-2-3-7-16(12)9-10-5-6-15-8-11(10)14/h5-6,8,12H,2-4,7,9H2,1H3/t12-/m1/s1
InChIKeyRLPQNBAPEIXHCK-GFCCVEGCSA-N
XLogP2.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
methyl 1-[(2-chloro-4-nitrophenyl)methyl]piperidine-2-carboxylate
CID 115536949
methyl (2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 97066427
methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate
CID 103055321
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate (CID 79833064) is methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1ccncc1Cl.
What is the InChIKey of methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate?
The InChIKey is RLPQNBAPEIXHCK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-13(17)12-4-2-3-7-16(12)9-10-5-6-15-8-11(10)14/h5-6,8,12H,2-4,7,9H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate has a molecular weight of 268.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 79833064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).