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

C15H22N2O — CID 107148958

IUPACN-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2COCc3ccccc32)CC1
InChIInChI=1S/C15H22N2O/c1-17-8-6-13(7-9-17)16-15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3
InChIKeyJYLIOPYBHIPYLV-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.94
Rot. Bonds2

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

N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine (PubChem CID 107148958) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
PubChem CID107148958
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2COCc3ccccc32)CC1
InChIInChI=1S/C15H22N2O/c1-17-8-6-13(7-9-17)16-15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3
InChIKeyJYLIOPYBHIPYLV-UHFFFAOYSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.94
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
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-methylpyrrolidine-2,5-dione
CID 107149445
5-(3,4-dihydro-1H-isochromen-4-ylamino)piperidin-2-one
CID 107149372
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
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
1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482845
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
CID 43522991
1-methyl-N-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine
CID 43775843
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine (CID 107148958) is N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine is CN1CCC(NC2COCc3ccccc32)CC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine?
The InChIKey is JYLIOPYBHIPYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-8-6-13(7-9-17)16-15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine?
N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine has a molecular weight of 246.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 107148958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).