benzyl 6-methylpiperidine-2-carboxylate;hydrochloride

C14H20ClNO2 — CID 2834681

IUPACbenzyl 6-methylpiperidine-2-carboxylate;hydrochloride
SMILESCC1CCCC(C(=O)OCc2ccccc2)N1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11-6-5-9-13(15-11)14(16)17-10-12-7-3-2-4-8-12;/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3;1H
InChIKeyMPFRRROQGKHSEU-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.68
Rot. Bonds3

About benzyl 6-methylpiperidine-2-carboxylate;hydrochloride

benzyl 6-methylpiperidine-2-carboxylate;hydrochloride (PubChem CID 2834681) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is benzyl 6-methylpiperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 6-methylpiperidine-2-carboxylate;hydrochloride
PubChem CID2834681
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namebenzyl 6-methylpiperidine-2-carboxylate;hydrochloride
SMILESCC1CCCC(C(=O)OCc2ccccc2)N1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-11-6-5-9-13(15-11)14(16)17-10-12-7-3-2-4-8-12;/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3;1H
InChIKeyMPFRRROQGKHSEU-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-methylpiperidine-2-carboxylate;hydrochloride?
The IUPAC name of benzyl 6-methylpiperidine-2-carboxylate;hydrochloride (CID 2834681) is benzyl 6-methylpiperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 6-methylpiperidine-2-carboxylate;hydrochloride?
The canonical SMILES for benzyl 6-methylpiperidine-2-carboxylate;hydrochloride is CC1CCCC(C(=O)OCc2ccccc2)N1.Cl.
What is the InChIKey of benzyl 6-methylpiperidine-2-carboxylate;hydrochloride?
The InChIKey is MPFRRROQGKHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-11-6-5-9-13(15-11)14(16)17-10-12-7-3-2-4-8-12;/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3;1H.
What are the key properties of benzyl 6-methylpiperidine-2-carboxylate;hydrochloride?
benzyl 6-methylpiperidine-2-carboxylate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-methylpiperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 2834681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).