(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride

C19H23ClN2O2 — CID 120571312

IUPAC(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1C.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-14-15(2)21(13-12-20-14)19(22)16-8-10-18(11-9-16)23-17-6-4-3-5-7-17;/h3-11,14-15,20H,12-13H2,1-2H3;1H
InChIKeyPYSJLTVJOMXJNM-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.72
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride

(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride (PubChem CID 120571312) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
PubChem CID120571312
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1C.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-14-15(2)21(13-12-20-14)19(22)16-8-10-18(11-9-16)23-17-6-4-3-5-7-17;/h3-11,14-15,20H,12-13H2,1-2H3;1H
InChIKeyPYSJLTVJOMXJNM-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 120571735
(2,3-dimethylpiperazin-1-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone;dihydrochloride
CID 120571397
(3-cyclopentyloxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571016
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 120570699
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 120570067
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride (CID 120571312) is (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride is CC1NCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1C.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
The InChIKey is PYSJLTVJOMXJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-14-15(2)21(13-12-20-14)19(22)16-8-10-18(11-9-16)23-17-6-4-3-5-7-17;/h3-11,14-15,20H,12-13H2,1-2H3;1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 120571312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).