benzyl 3-methoxypiperidine-1-carboxylate

C14H19NO3 — CID 46945506

IUPACbenzyl 3-methoxypiperidine-1-carboxylate
SMILESCOC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-17-13-8-5-9-15(10-13)14(16)18-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyUGOMDKUOPGHQJY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds3

About benzyl 3-methoxypiperidine-1-carboxylate

benzyl 3-methoxypiperidine-1-carboxylate (PubChem CID 46945506) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl 3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methoxypiperidine-1-carboxylate
PubChem CID46945506
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl 3-methoxypiperidine-1-carboxylate
SMILESCOC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-17-13-8-5-9-15(10-13)14(16)18-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyUGOMDKUOPGHQJY-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phendimetrazine
CID 30487
Bontril
CID 12460
1-Carbobenzoxy-4-piperidinecarboxylic Acid
CID 736489
Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
4-Morpholin-4-yl-1-phenylbut-2-ynyl acetate
CID 581744
2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
CID 6430941
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Ephedroxane
CID 161171
Phendimetrazine hydrochloride
CID 6437591
Piperidine, 1-(beta-ethoxyphenethyl)-
CID 99794
2-Methoxy-N,N-dimethyl-2-phenylethan-1-amine
CID 23180

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methoxypiperidine-1-carboxylate?
The IUPAC name of benzyl 3-methoxypiperidine-1-carboxylate (CID 46945506) is benzyl 3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-methoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-methoxypiperidine-1-carboxylate is COC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-methoxypiperidine-1-carboxylate?
The InChIKey is UGOMDKUOPGHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-8-5-9-15(10-13)14(16)18-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3.
What are the key properties of benzyl 3-methoxypiperidine-1-carboxylate?
benzyl 3-methoxypiperidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 46945506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).