cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

C19H29ClN2O2 — CID 120735372

IUPACcycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCCCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-23-18-11-7-6-10-16(18)17-14-20-12-13-21(17)19(22)15-8-4-2-3-5-9-15;/h6-7,10-11,15,17,20H,2-5,8-9,12-14H2,1H3;1H
InChIKeyJUUHBWBAKNBMOJ-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.56
Rot. Bonds3

About cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride

cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120735372) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120735372
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Namecycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCCCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-23-18-11-7-6-10-16(18)17-14-20-12-13-21(17)19(22)15-8-4-2-3-5-9-15;/h6-7,10-11,15,17,20H,2-5,8-9,12-14H2,1H3;1H
InChIKeyJUUHBWBAKNBMOJ-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120734581
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 120732946
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734626
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-methoxyphenyl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 120733877
(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120735372) is cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)C1CCCCCC1.Cl.
What is the InChIKey of cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is JUUHBWBAKNBMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-23-18-11-7-6-10-16(18)17-14-20-12-13-21(17)19(22)15-8-4-2-3-5-9-15;/h6-7,10-11,15,17,20H,2-5,8-9,12-14H2,1H3;1H.
What are the key properties of cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120735372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).