N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

C18H30N2O — CID 62591709

IUPACN-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1ccc(CN2CCC(CNCCOC)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-16-4-6-18(7-5-16)15-20-11-8-17(9-12-20)14-19-10-13-21-2/h4-7,17,19H,3,8-15H2,1-2H3
InChIKeyMFMTWLCORNKENX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.70
Rot. Bonds8

About N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 62591709) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID62591709
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1ccc(CN2CCC(CNCCOC)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-16-4-6-18(7-5-16)15-20-11-8-17(9-12-20)14-19-10-13-21-2/h4-7,17,19H,3,8-15H2,1-2H3
InChIKeyMFMTWLCORNKENX-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
N-[[1-[(4-iodophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65479448
N-[[1-[(4-bromophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591485
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
N-[[1-[(4-prop-1-en-2-ylphenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 178118415
N-[[1-[(4-nitrophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848229
methyl 4-[[4-(2-methoxyethylamino)piperidin-1-yl]methyl]benzoate
CID 24732678
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119899112
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (CID 62591709) is N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is CCc1ccc(CN2CCC(CNCCOC)CC2)cc1.
What is the InChIKey of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is MFMTWLCORNKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-16-4-6-18(7-5-16)15-20-11-8-17(9-12-20)14-19-10-13-21-2/h4-7,17,19H,3,8-15H2,1-2H3.
What are the key properties of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62591709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).