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

C17H28N2O — CID 103465126

IUPACN-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(COC)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-18-13-15-9-11-19(12-10-15)17(14-20-2)16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyJIBNVAVBOSAGRQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds7

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

N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 103465126) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID103465126
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(COC)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-18-13-15-9-11-19(12-10-15)17(14-20-2)16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyJIBNVAVBOSAGRQ-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
CID 80551485
N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 80550533
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 113430223
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine (CID 103465126) is N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C(COC)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is JIBNVAVBOSAGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-13-15-9-11-19(12-10-15)17(14-20-2)16-7-5-4-6-8-16/h4-8,15,17-18H,3,9-14H2,1-2H3.
What are the key properties of N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 103465126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).