[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride

C18H31Cl2N3O2 — CID 119473075

IUPAC[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)N2CCNCC2C)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-4-20(5-2)12-13-23-17-8-6-16(7-9-17)18(22)21-11-10-19-14-15(21)3;;/h6-9,15,19H,4-5,10-14H2,1-3H3;2*1H
InChIKeyYOTRNNAPKBMXBS-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.68
Rot. Bonds7

About [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride

[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119473075) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119473075
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)N2CCNCC2C)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-4-20(5-2)12-13-23-17-8-6-16(7-9-17)18(22)21-11-10-19-14-15(21)3;;/h6-9,15,19H,4-5,10-14H2,1-3H3;2*1H
InChIKeyYOTRNNAPKBMXBS-UHFFFAOYSA-N
XLogP2.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
[4-[2-(diethylamino)ethoxy]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730306
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401
N,N-bis(2-methoxyethyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119471610
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472994
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride (CID 119473075) is [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride is CCN(CC)CCOc1ccc(C(=O)N2CCNCC2C)cc1.Cl.Cl.
What is the InChIKey of [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is YOTRNNAPKBMXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-4-20(5-2)12-13-23-17-8-6-16(7-9-17)18(22)21-11-10-19-14-15(21)3;;/h6-9,15,19H,4-5,10-14H2,1-3H3;2*1H.
What are the key properties of [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride?
[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119473075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).