(4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride

C17H19Cl2N3O3 — CID 90643562

IUPAC(4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H
InChIKeyLCDKIFARRBONDA-UHFFFAOYSA-N
MW384.26 g/mol
LogP3.01
Rot. Bonds4

About (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride

(4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 90643562) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
PubChem CID90643562
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC Name(4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H
InChIKeyLCDKIFARRBONDA-UHFFFAOYSA-N
XLogP3.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride (CID 90643562) is (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride is Cl.O=C(Oc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is LCDKIFARRBONDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H.
What are the key properties of (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride?
(4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 384.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 90643562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).