ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine

C16H28N2 — CID 144545946

IUPACethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
SMILESCC.CNCc1cccc(C2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2.C2H6/c1-15-11-12-4-3-5-14(10-12)13-6-8-16(2)9-7-13;1-2/h3-5,10,13,15H,6-9,11H2,1-2H3;1-2H3
InChIKeyDHHQICOBZBXILT-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.24
Rot. Bonds3

About ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine

ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine (PubChem CID 144545946) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
PubChem CID144545946
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Nameethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
SMILESCC.CNCc1cccc(C2CCN(C)CC2)c1
InChIInChI=1S/C14H22N2.C2H6/c1-15-11-12-4-3-5-14(10-12)13-6-8-16(2)9-7-13;1-2/h3-5,10,13,15H,6-9,11H2,1-2H3;1-2H3
InChIKeyDHHQICOBZBXILT-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine?
The IUPAC name of ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine (CID 144545946) is ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine is CC.CNCc1cccc(C2CCN(C)CC2)c1.
What is the InChIKey of ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine?
The InChIKey is DHHQICOBZBXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C2H6/c1-15-11-12-4-3-5-14(10-12)13-6-8-16(2)9-7-13;1-2/h3-5,10,13,15H,6-9,11H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine?
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine has a molecular weight of 248.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine is sourced from PubChem (CID 144545946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).