benzyl 3-methoxy-3-methylpiperidine-1-carboxylate

C15H21NO3 — CID 130477377

IUPACbenzyl 3-methoxy-3-methylpiperidine-1-carboxylate
SMILESCOC1(C)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(18-2)9-6-10-16(12-15)14(17)19-11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyATDSJXMEVPGMJM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.82
Rot. Bonds3

About benzyl 3-methoxy-3-methylpiperidine-1-carboxylate

benzyl 3-methoxy-3-methylpiperidine-1-carboxylate (PubChem CID 130477377) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl 3-methoxy-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methoxy-3-methylpiperidine-1-carboxylate
PubChem CID130477377
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl 3-methoxy-3-methylpiperidine-1-carboxylate
SMILESCOC1(C)CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(18-2)9-6-10-16(12-15)14(17)19-11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyATDSJXMEVPGMJM-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006
1-O-benzyl 3-O-methyl (3S)-3-ethylpiperidine-1,3-dicarboxylate
CID 97103844
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
1-O-benzyl 3-O-(trifluoromethyl) 3-methylpiperidine-1,3-dicarboxylate
CID 175123877

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methoxy-3-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl 3-methoxy-3-methylpiperidine-1-carboxylate (CID 130477377) is benzyl 3-methoxy-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-methoxy-3-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-methoxy-3-methylpiperidine-1-carboxylate is COC1(C)CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-methoxy-3-methylpiperidine-1-carboxylate?
The InChIKey is ATDSJXMEVPGMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(18-2)9-6-10-16(12-15)14(17)19-11-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3.
What are the key properties of benzyl 3-methoxy-3-methylpiperidine-1-carboxylate?
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methoxy-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 130477377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).