[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride

C24H32ClN3O2 — CID 120753770

IUPAC[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(C(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C24H31N3O2.ClH/c1-29-23-11-4-3-10-21(23)22-17-25-12-15-27(22)18-19-8-7-9-20(16-19)24(28)26-13-5-2-6-14-26;/h3-4,7-11,16,22,25H,2,5-6,12-15,17-18H2,1H3;1H
InChIKeyNOYRVCOZDCLLEC-UHFFFAOYSA-N
MW429.99 g/mol
LogP3.89
Rot. Bonds5

About [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride

[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 120753770) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID120753770
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(C(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C24H31N3O2.ClH/c1-29-23-11-4-3-10-21(23)22-17-25-12-15-27(22)18-19-8-7-9-20(16-19)24(28)26-13-5-2-6-14-26;/h3-4,7-11,16,22,25H,2,5-6,12-15,17-18H2,1H3;1H
InChIKeyNOYRVCOZDCLLEC-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120735196
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120754113
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120754169
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 120753177
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120733266
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
1-[(3-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120846326
2-(2-methoxyphenyl)-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]piperazine;hydrochloride
CID 120767337
2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride (CID 120753770) is [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride is COc1ccccc1C1CNCCN1Cc1cccc(C(=O)N2CCCCC2)c1.Cl.
What is the InChIKey of [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is NOYRVCOZDCLLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.ClH/c1-29-23-11-4-3-10-21(23)22-17-25-12-15-27(22)18-19-8-7-9-20(16-19)24(28)26-13-5-2-6-14-26;/h3-4,7-11,16,22,25H,2,5-6,12-15,17-18H2,1H3;1H.
What are the key properties of [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride?
[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 429.99 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120753770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).