N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine

C19H32N2O — CID 134135786

IUPACN-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C19H32N2O/c1-16(2)14-17-4-6-18(7-5-17)15-22-19-8-11-21(12-9-19)13-10-20-3/h4-7,16,19-20H,8-15H2,1-3H3
InChIKeyYWNMOMVIHTWXNN-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.09
Rot. Bonds8

About N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine

N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine (PubChem CID 134135786) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine
PubChem CID134135786
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C19H32N2O/c1-16(2)14-17-4-6-18(7-5-17)15-22-19-8-11-21(12-9-19)13-10-20-3/h4-7,16,19-20H,8-15H2,1-3H3
InChIKeyYWNMOMVIHTWXNN-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine (CID 134135786) is N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine is CNCCN1CCC(OCc2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The InChIKey is YWNMOMVIHTWXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-16(2)14-17-4-6-18(7-5-17)15-22-19-8-11-21(12-9-19)13-10-20-3/h4-7,16,19-20H,8-15H2,1-3H3.
What are the key properties of N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[4-(2-methylpropyl)phenyl]methoxy]piperidin-1-yl]ethanamine is sourced from PubChem (CID 134135786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).