N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine

C13H28N4O — CID 123193462

IUPACN-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine
SMILESCNCNN1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C13H28N4O/c1-14-11-15-17-9-5-13(6-10-17)18-12-3-7-16(2)8-4-12/h12-15H,3-11H2,1-2H3
InChIKeySLZNDYFVONSEPD-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.24
Rot. Bonds5

About N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine

N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine (PubChem CID 123193462) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine
PubChem CID123193462
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine
SMILESCNCNN1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C13H28N4O/c1-14-11-15-17-9-5-13(6-10-17)18-12-3-7-16(2)8-4-12/h12-15H,3-11H2,1-2H3
InChIKeySLZNDYFVONSEPD-UHFFFAOYSA-N
XLogP0.24
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(azetidin-3-yloxy)-1-methylpiperidine
CID 146420292
1-methyl-4-piperidin-4-yloxypiperidine;hydrochloride
CID 84819365
ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 170629571
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-methyl-1-(1-methylpiperidin-4-yl)methanamine;molecular hydrogen
CID 142232985
N,2-dimethyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 114998676
1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 171641415
N-methyl-2-(1-methylpiperidin-4-yl)oxybutan-1-amine
CID 62441247
ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
CID 171786154
2-ethyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
CID 169257530
1-methyl-4-(3-prop-1-ynylcyclobutyl)oxypiperidine
CID 153437018

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine?
The IUPAC name of N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine (CID 123193462) is N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine.
What is the SMILES notation for N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine?
The canonical SMILES for N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine is CNCNN1CCC(OC2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine?
The InChIKey is SLZNDYFVONSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-14-11-15-17-9-5-13(6-10-17)18-12-3-7-16(2)8-4-12/h12-15H,3-11H2,1-2H3.
What are the key properties of N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine?
N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine has a molecular weight of 256.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanediamine is sourced from PubChem (CID 123193462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).