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

C16H24N2O — CID 107149291

IUPACN-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCC(CNC2COCc3ccccc32)CC1
InChIInChI=1S/C16H24N2O/c1-18-8-6-13(7-9-18)10-17-16-12-19-11-14-4-2-3-5-15(14)16/h2-5,13,16-17H,6-12H2,1H3
InChIKeyGARRJURHIHUHMN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

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

N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149291) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149291
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCC(CNC2COCc3ccccc32)CC1
InChIInChI=1S/C16H24N2O/c1-18-8-6-13(7-9-18)10-17-16-12-19-11-14-4-2-3-5-15(14)16/h2-5,13,16-17H,6-12H2,1H3
InChIKeyGARRJURHIHUHMN-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
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-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
CID 107148958
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981901
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
CID 107149446
N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149306
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115717469
N-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149303

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149291) is N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is CN1CCC(CNC2COCc3ccccc32)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is GARRJURHIHUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-8-6-13(7-9-18)10-17-16-12-19-11-14-4-2-3-5-15(14)16/h2-5,13,16-17H,6-12H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).