N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C17H26N2O — CID 107149292

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCCN1CCC(CNC2COCc3ccccc32)CC1
InChIInChI=1S/C17H26N2O/c1-2-19-9-7-14(8-10-19)11-18-17-13-20-12-15-5-3-4-6-16(15)17/h3-6,14,17-18H,2,7-13H2,1H3
InChIKeyGGFRFAADGWEESC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds4

About N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149292) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149292
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCCN1CCC(CNC2COCc3ccccc32)CC1
InChIInChI=1S/C17H26N2O/c1-2-19-9-7-14(8-10-19)11-18-17-13-20-12-15-5-3-4-6-16(15)17/h3-6,14,17-18H,2,7-13H2,1H3
InChIKeyGGFRFAADGWEESC-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149381
N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149463
N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345285
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
CID 107149446
N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 81345188
N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
CID 107148958
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
CID 106284691
N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149306

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149292) is N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is CCN1CCC(CNC2COCc3ccccc32)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is GGFRFAADGWEESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19-9-7-14(8-10-19)11-18-17-13-20-12-15-5-3-4-6-16(15)17/h3-6,14,17-18H,2,7-13H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).