2-Piperidin-1-ylethyl 2-chlorobenzoate hydrochloride

C14H19Cl2NO2 — CID 6602660

IUPAC2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
SMILESC1CCN(CC1)CCOC(=O)C2=CC=CC=C2Cl.Cl
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
MW304.20 g/mol
LogP—
Rot. Bonds5

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 304.20 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 Weight304.20 g/mol
Exact Mass303.08
IUPAC Name2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
SMILESC1CCN(CC1)CCOC(=O)C2=CC=CC=C2Cl.Cl
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
XLogP—
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity267

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperalin
CID 18996
3-Fluoro-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2912528
Benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2836419
4-[4-(Benzyloxy)piperidino]butyl-4-chlorobenzoate
CID 10135721
4-[4-(Benzyloxy)piperidino]butyl-3-chlorobenzoate
CID 10222714
1-Azabicyclo[2.2.2]oct-3-yl 4-chlorobenzoate
CID 2802695
3-Fluoro-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 2908677
1-Morpholinopropan-2-yl 3-chlorobenzoate hydrochloride
CID 2912130
2-Fluoro-benzoic acid 1-methyl-piperidin-3-yl ester
CID 2912317
1-(2,6-Dimethylpiperidin-1-yl)propan-2-yl 2-chlorobenzoate
CID 4139253
1-(2,6-Dimethylpiperidin-1-yl)propan-2-yl 4-chlorobenzoate
CID 4400694
1-Morpholinopropan-2-yl benzoate hydrochloride
CID 16682374

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 C1CCN(CC1)CCOC(=O)C2=CC=CC=C2Cl.Cl.
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 304.20 g/mol, XLogP of not available, 5 rotatable bonds, 1 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).