methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate

C17H20N2O2 — CID 115537863

IUPACmethyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-21-17(20)16-8-4-5-11-19(16)12-13-9-10-18-15-7-3-2-6-14(13)15/h2-3,6-7,9-10,16H,4-5,8,11-12H2,1H3/t16-/m1/s1
InChIKeyLEXVFMJUWUTSKC-MRXNPFEDSA-N
MW284.36 g/mol
LogP2.76
Rot. Bonds3

About methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate

methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate (PubChem CID 115537863) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
PubChem CID115537863
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-21-17(20)16-8-4-5-11-19(16)12-13-9-10-18-15-7-3-2-6-14(13)15/h2-3,6-7,9-10,16H,4-5,8,11-12H2,1H3/t16-/m1/s1
InChIKeyLEXVFMJUWUTSKC-MRXNPFEDSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 79232010
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
CID 79833064
methyl 1-(2,1,3-benzothiadiazol-4-ylmethyl)piperidine-2-carboxylate
CID 75428183
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
methyl (2R)-1-[(2-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833556
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62470832

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate (CID 115537863) is methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1ccnc2ccccc12.
What is the InChIKey of methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate?
The InChIKey is LEXVFMJUWUTSKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-17(20)16-8-4-5-11-19(16)12-13-9-10-18-15-7-3-2-6-14(13)15/h2-3,6-7,9-10,16H,4-5,8,11-12H2,1H3/t16-/m1/s1.
What are the key properties of methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate?
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate is sourced from PubChem (CID 115537863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).