2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride

C18H23Cl2N3O — CID 120780202

IUPAC2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
SMILESCOc1cc(C)nc(CN2CCNCC2c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C18H22ClN3O.ClH/c1-13-8-17(23-2)10-16(21-13)12-22-7-6-20-11-18(22)14-4-3-5-15(19)9-14;/h3-5,8-10,18,20H,6-7,11-12H2,1-2H3;1H
InChIKeyKRPUXWHFWUNFDP-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.62
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride (PubChem CID 120780202) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
PubChem CID120780202
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
SMILESCOc1cc(C)nc(CN2CCNCC2c2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C18H22ClN3O.ClH/c1-13-8-17(23-2)10-16(21-13)12-22-7-6-20-11-18(22)14-4-3-5-15(19)9-14;/h3-5,8-10,18,20H,6-7,11-12H2,1-2H3;1H
InChIKeyKRPUXWHFWUNFDP-UHFFFAOYSA-N
XLogP3.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 120771277
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride (CID 120780202) is 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride is COc1cc(C)nc(CN2CCNCC2c2cccc(Cl)c2)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
The InChIKey is KRPUXWHFWUNFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O.ClH/c1-13-8-17(23-2)10-16(21-13)12-22-7-6-20-11-18(22)14-4-3-5-15(19)9-14;/h3-5,8-10,18,20H,6-7,11-12H2,1-2H3;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120780202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).