[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride

C18H29Cl2N3O2 — CID 120938057

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccccc1CN1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-5-3-4-6-16(14)13-20-8-10-21(11-9-20)18(22)17-15(2)23-12-7-19-17;;/h3-6,15,17,19H,7-13H2,1-2H3;2*1H/t15-,17+;;/m1../s1
InChIKeyNVOQOTRXBCWDDK-CKDKJTBNSA-N
MW390.36 g/mol
LogP1.86
Rot. Bonds3

About [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride

[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120938057) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID120938057
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccccc1CN1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-5-3-4-6-16(14)13-20-8-10-21(11-9-20)18(22)17-15(2)23-12-7-19-17;;/h3-6,15,17,19H,7-13H2,1-2H3;2*1H/t15-,17+;;/m1../s1
InChIKeyNVOQOTRXBCWDDK-CKDKJTBNSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938012
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120938074
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120940344
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 120941906
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 120938815
N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 120919828
[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942286
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120941290

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 120938057) is [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride is Cc1ccccc1CN1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is NVOQOTRXBCWDDK-CKDKJTBNSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-14-5-3-4-6-16(14)13-20-8-10-21(11-9-20)18(22)17-15(2)23-12-7-19-17;;/h3-6,15,17,19H,7-13H2,1-2H3;2*1H/t15-,17+;;/m1../s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120938057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).