methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride

C15H22ClNO3 — CID 171364018

IUPACmethyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCC(COCc2ccccc2)CN1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-15(17)14-8-7-13(9-16-14)11-19-10-12-5-3-2-4-6-12;/h2-6,13-14,16H,7-11H2,1H3;1H
InChIKeySXAHSYHEOWUTPU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.17
Rot. Bonds5

About methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride

methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride (PubChem CID 171364018) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
PubChem CID171364018
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namemethyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CCC(COCc2ccccc2)CN1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-18-15(17)14-8-7-13(9-16-14)11-19-10-12-5-3-2-4-6-12;/h2-6,13-14,16H,7-11H2,1H3;1H
InChIKeySXAHSYHEOWUTPU-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
CID 159350997
methyl 4-(4-phenylmethoxybutyl)pyrrolidine-2-carboxylate
CID 142090727
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 126509276
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
1-O-methyl 2-O-[(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175024507
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119336587
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506

Frequently Asked Questions

What is the IUPAC name of methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride (CID 171364018) is methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride is COC(=O)C1CCC(COCc2ccccc2)CN1.Cl.
What is the InChIKey of methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride?
The InChIKey is SXAHSYHEOWUTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-18-15(17)14-8-7-13(9-16-14)11-19-10-12-5-3-2-4-6-12;/h2-6,13-14,16H,7-11H2,1H3;1H.
What are the key properties of methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride?
methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 171364018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).