N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

C22H32N2O — CID 26331444

IUPACN-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccoc1)CC1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C22H32N2O/c1-3-23(17-21-11-15-25-18-21)16-20-8-12-24(13-9-20)14-10-22-7-5-4-6-19(22)2/h4-7,11,15,18,20H,3,8-10,12-14,16-17H2,1-2H3
InChIKeyVZAXEGYLIJLBFV-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.36
Rot. Bonds8

About N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 26331444) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
PubChem CID26331444
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccoc1)CC1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C22H32N2O/c1-3-23(17-21-11-15-25-18-21)16-20-8-12-24(13-9-20)14-10-22-7-5-4-6-19(22)2/h4-7,11,15,18,20H,3,8-10,12-14,16-17H2,1-2H3
InChIKeyVZAXEGYLIJLBFV-UHFFFAOYSA-N
XLogP4.36
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 42566598
N-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42520717
N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26400256
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42462769
N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
CID 25379756
N-(1H-benzimidazol-2-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42519849
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 72935541
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (CID 26331444) is N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is CCN(Cc1ccoc1)CC1CCN(CCc2ccccc2C)CC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is VZAXEGYLIJLBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-3-23(17-21-11-15-25-18-21)16-20-8-12-24(13-9-20)14-10-22-7-5-4-6-19(22)2/h4-7,11,15,18,20H,3,8-10,12-14,16-17H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 340.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 26331444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).