(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride

C13H27Cl2N3O2 — CID 154907860

IUPAC(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride
SMILESCOCCN1CCC(C(=O)N2CCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-18-9-8-15-5-2-11(3-6-15)13(17)16-7-4-12(14)10-16;;/h11-12H,2-10,14H2,1H3;2*1H
InChIKeyLHHFNRDZYCTGOW-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.75
Rot. Bonds4

About (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride

(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride (PubChem CID 154907860) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride
PubChem CID154907860
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride
SMILESCOCCN1CCC(C(=O)N2CCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-18-9-8-15-5-2-11(3-6-15)13(17)16-7-4-12(14)10-16;;/h11-12H,2-10,14H2,1H3;2*1H
InChIKeyLHHFNRDZYCTGOW-UHFFFAOYSA-N
XLogP0.75
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 171153397
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 95121753
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 95211388
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880273
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162638166

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride (CID 154907860) is (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride is COCCN1CCC(C(=O)N2CCC(N)C2)CC1.Cl.Cl.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride?
The InChIKey is LHHFNRDZYCTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-18-9-8-15-5-2-11(3-6-15)13(17)16-7-4-12(14)10-16;;/h11-12H,2-10,14H2,1H3;2*1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride?
(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 154907860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).