2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride

C14H19BrClNO2 — CID 2900149

IUPAC2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1ccccc1Br
InChIInChI=1S/C14H18BrNO2.ClH/c15-13-7-3-2-6-12(13)14(17)18-11-10-16-8-4-1-5-9-16;/h2-3,6-7H,1,4-5,8-11H2;1H
InChIKeyZWYZBUOMECAXIQ-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.51
Rot. Bonds4

About 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride

2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride (PubChem CID 2900149) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride
PubChem CID2900149
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1ccccc1Br
InChIInChI=1S/C14H18BrNO2.ClH/c15-13-7-3-2-6-12(13)14(17)18-11-10-16-8-4-1-5-9-16;/h2-3,6-7H,1,4-5,8-11H2;1H
InChIKeyZWYZBUOMECAXIQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride (CID 2900149) is 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride is Cl.O=C(OCCN1CCCCC1)c1ccccc1Br.
What is the InChIKey of 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride?
The InChIKey is ZWYZBUOMECAXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2.ClH/c15-13-7-3-2-6-12(13)14(17)18-11-10-16-8-4-1-5-9-16;/h2-3,6-7H,1,4-5,8-11H2;1H.
What are the key properties of 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride?
2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride has a molecular weight of 348.67 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-bromobenzoate;hydrochloride is sourced from PubChem (CID 2900149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).