2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride

C14H19Cl2NO2 — CID 2836409

IUPAC2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2.ClH/c15-13-6-4-5-12(11-13)14(17)18-10-9-16-7-2-1-3-8-16;/h4-6,11H,1-3,7-10H2;1H
InChIKeyPRDOEAODHMVHOH-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.40
Rot. Bonds4

About 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride

2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride (PubChem CID 2836409) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride
PubChem CID2836409
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2.ClH/c15-13-6-4-5-12(11-13)14(17)18-10-9-16-7-2-1-3-8-16;/h4-6,11H,1-3,7-10H2;1H
InChIKeyPRDOEAODHMVHOH-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-ylethyl 3-nitrobenzoate
CID 790139
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
2-bromoethyl 3-chlorobenzoate
CID 21411127
2-(1,3-dioxoisoindol-2-yl)ethyl 3-chlorobenzoate
CID 2504001
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
4-bromobutyl 3-chlorobenzoate
CID 12029497
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride (CID 2836409) is 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride is Cl.O=C(OCCN1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride?
The InChIKey is PRDOEAODHMVHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2.ClH/c15-13-6-4-5-12(11-13)14(17)18-10-9-16-7-2-1-3-8-16;/h4-6,11H,1-3,7-10H2;1H.
What are the key properties of 2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride?
2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride has a molecular weight of 304.22 g/mol, XLogP of 3.40, 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 3-chlorobenzoate;hydrochloride is sourced from PubChem (CID 2836409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).