N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride

C13H29Cl2N3O — CID 119922597

IUPACN-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCNCC1CCN(CCN2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-14-12-13-2-4-15(5-3-13)6-7-16-8-10-17-11-9-16;;/h13-14H,2-12H2,1H3;2*1H
InChIKeyHJUAJURIGDJVDK-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride

N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride (PubChem CID 119922597) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
PubChem CID119922597
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC NameN-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCNCC1CCN(CCN2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-14-12-13-2-4-15(5-3-13)6-7-16-8-10-17-11-9-16;;/h13-14H,2-12H2,1H3;2*1H
InChIKeyHJUAJURIGDJVDK-UHFFFAOYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
CID 80675433
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65161247
N-methyl-1-[4-(2-morpholin-4-ylethyl)morpholin-3-yl]methanamine
CID 83099643
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
N-methyl-1-[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 117022653

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride (CID 119922597) is N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride is CNCC1CCN(CCN2CCOCC2)CC1.Cl.Cl.
What is the InChIKey of N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride?
The InChIKey is HJUAJURIGDJVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-14-12-13-2-4-15(5-3-13)6-7-16-8-10-17-11-9-16;;/h13-14H,2-12H2,1H3;2*1H.
What are the key properties of N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride?
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119922597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).