2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride

C16H23Cl2N3O2 — CID 120770750

IUPAC2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H22ClN3O2.ClH/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)12-16(21)19-6-8-22-9-7-19;/h1-3,10,15,18H,4-9,11-12H2;1H
InChIKeyUQOKRSKDPCYMBT-UHFFFAOYSA-N
MW360.29 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride

2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride (PubChem CID 120770750) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
PubChem CID120770750
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCNCC1c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H22ClN3O2.ClH/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)12-16(21)19-6-8-22-9-7-19;/h1-3,10,15,18H,4-9,11-12H2;1H
InChIKeyUQOKRSKDPCYMBT-UHFFFAOYSA-N
XLogP1.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389
4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
CID 120770878
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 120770787
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride (CID 120770750) is 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride is Cl.O=C(CN1CCNCC1c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
The InChIKey is UQOKRSKDPCYMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c17-14-3-1-2-13(10-14)15-11-18-4-5-20(15)12-16(21)19-6-8-22-9-7-19;/h1-3,10,15,18H,4-9,11-12H2;1H.
What are the key properties of 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride?
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 120770750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).