2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride

C18H21Cl2N3O2 — CID 90643558

IUPAC2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H20ClN3O2.ClH/c19-15-5-3-14(4-6-15)10-18(23)22-9-8-21-11-16(22)13-24-17-2-1-7-20-12-17;/h1-7,12,16,21H,8-11,13H2;1H
InChIKeyIDIVLLSKLUTDHS-UHFFFAOYSA-N
MW382.29 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 90643558) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID90643558
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H20ClN3O2.ClH/c19-15-5-3-14(4-6-15)10-18(23)22-9-8-21-11-16(22)13-24-17-2-1-7-20-12-17;/h1-7,12,16,21H,8-11,13H2;1H
InChIKeyIDIVLLSKLUTDHS-UHFFFAOYSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nlx204; nlx204
CID 132256735
(3,4-Dichlorophenyl)-[4-fluoro-4-[(2-pyridin-2-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132257275
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide
CID 71239321
(2R)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-N-methylpropan-2-amine
CID 10357643
2-(3,4-dichlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 24765210
3-chloro-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide
CID 50990951
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-pyridin-3-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256759
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-methyl-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256799
(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide
CID 164611162
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256766
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257041
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257105

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride (CID 90643558) is 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccc(Cl)cc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is IDIVLLSKLUTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2.ClH/c19-15-5-3-14(4-6-15)10-18(23)22-9-8-21-11-16(22)13-24-17-2-1-7-20-12-17;/h1-7,12,16,21H,8-11,13H2;1H.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 382.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 90643558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).