N-methyl-1-(4-piperidin-1-ylphenyl)methanamine

C13H20N2 — CID 7060582

IUPACN-methyl-1-(4-piperidin-1-ylphenyl)methanamine
SMILESCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKeyABHBNGLDUNAXSR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.40
Rot. Bonds3

About N-methyl-1-(4-piperidin-1-ylphenyl)methanamine

N-methyl-1-(4-piperidin-1-ylphenyl)methanamine (PubChem CID 7060582) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-(4-piperidin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-piperidin-1-ylphenyl)methanamine
PubChem CID7060582
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-(4-piperidin-1-ylphenyl)methanamine
SMILESCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKeyABHBNGLDUNAXSR-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-piperidin-1-ylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-piperidin-1-ylphenyl)methanamine (CID 7060582) is N-methyl-1-(4-piperidin-1-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-piperidin-1-ylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-piperidin-1-ylphenyl)methanamine is CNCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-methyl-1-(4-piperidin-1-ylphenyl)methanamine?
The InChIKey is ABHBNGLDUNAXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of N-methyl-1-(4-piperidin-1-ylphenyl)methanamine?
N-methyl-1-(4-piperidin-1-ylphenyl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-piperidin-1-ylphenyl)methanamine is sourced from PubChem (CID 7060582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).