N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine

C9H21N3 — CID 90141934

IUPACN',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine
SMILESCN(C)CNCC1CCNCC1
InChIInChI=1S/C9H21N3/c1-12(2)8-11-7-9-3-5-10-6-4-9/h9-11H,3-8H2,1-2H3
InChIKeyXSRDRFGNTLLCTE-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.09
Rot. Bonds4

About N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine

N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine (PubChem CID 90141934) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine
PubChem CID90141934
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine
SMILESCN(C)CNCC1CCNCC1
InChIInChI=1S/C9H21N3/c1-12(2)8-11-7-9-3-5-10-6-4-9/h9-11H,3-8H2,1-2H3
InChIKeyXSRDRFGNTLLCTE-UHFFFAOYSA-N
XLogP0.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine?
The IUPAC name of N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine (CID 90141934) is N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine.
What is the SMILES notation for N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine?
The canonical SMILES for N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine is CN(C)CNCC1CCNCC1.
What is the InChIKey of N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine?
The InChIKey is XSRDRFGNTLLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-12(2)8-11-7-9-3-5-10-6-4-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine?
N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine has a molecular weight of 171.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(piperidin-4-ylmethyl)methanediamine is sourced from PubChem (CID 90141934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).