(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride

C18H29Cl2N3O2 — CID 122147940

IUPAC(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cccc(CN3CCOCC3)c2)CC(C)N1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-11-21(12-15(2)19-14)18(22)17-5-3-4-16(10-17)13-20-6-8-23-9-7-20;;/h3-5,10,14-15,19H,6-9,11-13H2,1-2H3;2*1H
InChIKeyQFUZHRSULWXNRI-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.18
Rot. Bonds3

About (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride

(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride (PubChem CID 122147940) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
PubChem CID122147940
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cccc(CN3CCOCC3)c2)CC(C)N1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-11-21(12-15(2)19-14)18(22)17-5-3-4-16(10-17)13-20-6-8-23-9-7-20;;/h3-5,10,14-15,19H,6-9,11-13H2,1-2H3;2*1H
InChIKeyQFUZHRSULWXNRI-UHFFFAOYSA-N
XLogP2.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 125147330
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 120746621
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 124614078
[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 124729193
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 93487728
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 167833927
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride (CID 122147940) is (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride is CC1CN(C(=O)c2cccc(CN3CCOCC3)c2)CC(C)N1.Cl.Cl.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride?
The InChIKey is QFUZHRSULWXNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-14-11-21(12-15(2)19-14)18(22)17-5-3-4-16(10-17)13-20-6-8-23-9-7-20;;/h3-5,10,14-15,19H,6-9,11-13H2,1-2H3;2*1H.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride?
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 122147940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).