methyl 1-benzylpiperidine-2-carboxylate

C14H19NO2 — CID 10443988

IUPACmethyl 1-benzylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13-9-5-6-10-15(13)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyBFVMYXXBFRSMJP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds3

About methyl 1-benzylpiperidine-2-carboxylate

methyl 1-benzylpiperidine-2-carboxylate (PubChem CID 10443988) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 1-benzylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzylpiperidine-2-carboxylate
PubChem CID10443988
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 1-benzylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13-9-5-6-10-15(13)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
InChIKeyBFVMYXXBFRSMJP-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
2-ethoxyethyl (2S)-1-benzylpiperidine-2-carboxylate
CID 97216470
methyl (2R)-1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833827
methyl 1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 115279194

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-benzylpiperidine-2-carboxylate (CID 10443988) is methyl 1-benzylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-benzylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-benzylpiperidine-2-carboxylate is COC(=O)C1CCCCN1Cc1ccccc1.
What is the InChIKey of methyl 1-benzylpiperidine-2-carboxylate?
The InChIKey is BFVMYXXBFRSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13-9-5-6-10-15(13)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3.
What are the key properties of methyl 1-benzylpiperidine-2-carboxylate?
methyl 1-benzylpiperidine-2-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzylpiperidine-2-carboxylate is sourced from PubChem (CID 10443988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).