N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine

C18H28N2O — CID 104524583

IUPACN-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(C2c3ccccc3OCC2C)CC1
InChIInChI=1S/C18H28N2O/c1-14-13-21-17-6-4-3-5-16(17)18(14)20-11-8-15(9-12-20)7-10-19-2/h3-6,14-15,18-19H,7-13H2,1-2H3
InChIKeyZXQKLVRYWUJGRK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine

N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine (PubChem CID 104524583) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine
PubChem CID104524583
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(C2c3ccccc3OCC2C)CC1
InChIInChI=1S/C18H28N2O/c1-14-13-21-17-6-4-3-5-16(17)18(14)20-11-8-15(9-12-20)7-10-19-2/h3-6,14-15,18-19H,7-13H2,1-2H3
InChIKeyZXQKLVRYWUJGRK-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
CID 104524556
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822
1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524796
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 104524590
N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
CID 104524593
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 63276081
2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine
CID 64753096
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine (CID 104524583) is N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine is CNCCC1CCN(C2c3ccccc3OCC2C)CC1.
What is the InChIKey of N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine?
The InChIKey is ZXQKLVRYWUJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-13-21-17-6-4-3-5-16(17)18(14)20-11-8-15(9-12-20)7-10-19-2/h3-6,14-15,18-19H,7-13H2,1-2H3.
What are the key properties of N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine?
N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 104524583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).