[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride

C17H33Cl2N3O2 — CID 119867516

IUPAC[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCC1CN(CC2CCN(C(=O)C3CCCN3)CC2)CC(C)O1.Cl.Cl
InChIInChI=1S/C17H31N3O2.2ClH/c1-13-10-19(11-14(2)22-13)12-15-5-8-20(9-6-15)17(21)16-4-3-7-18-16;;/h13-16,18H,3-12H2,1-2H3;2*1H
InChIKeyWSRBIOZQXAYMPP-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.93
Rot. Bonds3

About [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride (PubChem CID 119867516) has the molecular formula C17H33Cl2N3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
PubChem CID119867516
Molecular FormulaC17H33Cl2N3O2
Molecular Weight382.38 g/mol
Exact Mass381.19
IUPAC Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCC1CN(CC2CCN(C(=O)C3CCCN3)CC2)CC(C)O1.Cl.Cl
InChIInChI=1S/C17H31N3O2.2ClH/c1-13-10-19(11-14(2)22-13)12-15-5-8-20(9-6-15)17(21)16-4-3-7-18-16;;/h13-16,18H,3-12H2,1-2H3;2*1H
InChIKeyWSRBIOZQXAYMPP-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride with MolForge

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Related Compounds

[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119899173
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride (CID 119867516) is [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride is CC1CN(CC2CCN(C(=O)C3CCCN3)CC2)CC(C)O1.Cl.Cl.
What is the InChIKey of [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
The InChIKey is WSRBIOZQXAYMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.2ClH/c1-13-10-19(11-14(2)22-13)12-15-5-8-20(9-6-15)17(21)16-4-3-7-18-16;;/h13-16,18H,3-12H2,1-2H3;2*1H.
What are the key properties of [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride?
[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride has a molecular weight of 382.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).