N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine

C13H27N3 — CID 115118418

IUPACN-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
SMILESCN1CCCC(CN(C)C2CCNCC2)C1
InChIInChI=1S/C13H27N3/c1-15-9-3-4-12(10-15)11-16(2)13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyPGRLYIFQAAMERA-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds3

About N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine (PubChem CID 115118418) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
PubChem CID115118418
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
SMILESCN1CCCC(CN(C)C2CCNCC2)C1
InChIInChI=1S/C13H27N3/c1-15-9-3-4-12(10-15)11-16(2)13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyPGRLYIFQAAMERA-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine (CID 115118418) is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine is CN1CCCC(CN(C)C2CCNCC2)C1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine?
The InChIKey is PGRLYIFQAAMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-9-3-4-12(10-15)11-16(2)13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine?
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 115118418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).