benzyl piperidine-2-carboxylate;hydrochloride

C13H18ClNO2 — CID 66751062

IUPACbenzyl piperidine-2-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CCCCN1
InChIInChI=1S/C13H17NO2.ClH/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2;1H
InChIKeyJPLUTHCQQZSANV-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.29
Rot. Bonds3

About benzyl piperidine-2-carboxylate;hydrochloride

benzyl piperidine-2-carboxylate;hydrochloride (PubChem CID 66751062) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is benzyl piperidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl piperidine-2-carboxylate;hydrochloride
PubChem CID66751062
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Namebenzyl piperidine-2-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CCCCN1
InChIInChI=1S/C13H17NO2.ClH/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2;1H
InChIKeyJPLUTHCQQZSANV-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl piperidine-2-carboxylate;hydrochloride?
The IUPAC name of benzyl piperidine-2-carboxylate;hydrochloride (CID 66751062) is benzyl piperidine-2-carboxylate;hydrochloride.
What is the SMILES notation for benzyl piperidine-2-carboxylate;hydrochloride?
The canonical SMILES for benzyl piperidine-2-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)C1CCCCN1.
What is the InChIKey of benzyl piperidine-2-carboxylate;hydrochloride?
The InChIKey is JPLUTHCQQZSANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c15-13(12-8-4-5-9-14-12)16-10-11-6-2-1-3-7-11;/h1-3,6-7,12,14H,4-5,8-10H2;1H.
What are the key properties of benzyl piperidine-2-carboxylate;hydrochloride?
benzyl piperidine-2-carboxylate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl piperidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 66751062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).