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

C14H19Cl2NO2 — CID 6602660

IUPAC2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2.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
InChIKeyQTXBNLTYYMIJQF-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.40
Rot. Bonds4

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

2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride (PubChem CID 6602660) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
PubChem CID6602660
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
SMILESCl.O=C(OCCN1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO2.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
InChIKeyQTXBNLTYYMIJQF-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 2-hydroxybenzoate
CID 12633972
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
2-piperidin-1-ylethyl 3-chlorobenzoate;hydrochloride
CID 2836409
2-(4-methylpiperazin-1-yl)ethyl 2-amino-3-chlorobenzoate
CID 82892124
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
3-pyrrolidin-1-ylpropyl 3-amino-2-chlorobenzoate
CID 112580372
2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride
CID 14229736
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride (CID 6602660) is 2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride is Cl.O=C(OCCN1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride?
The InChIKey is QTXBNLTYYMIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2.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-chlorobenzoate;hydrochloride?
2-piperidin-1-ylethyl 2-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 2-chlorobenzoate;hydrochloride is sourced from PubChem (CID 6602660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).