N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine

C16H24N2O — CID 107149986

IUPACN-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCN(CC1CCNCC1)C1COCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-18(10-13-6-8-17-9-7-13)16-12-19-11-14-4-2-3-5-15(14)16/h2-5,13,16-17H,6-12H2,1H3
InChIKeyNFPLNKIJSDHZBN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine

N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149986) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149986
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCN(CC1CCNCC1)C1COCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-18(10-13-6-8-17-9-7-13)16-12-19-11-14-4-2-3-5-15(14)16/h2-5,13,16-17H,6-12H2,1H3
InChIKeyNFPLNKIJSDHZBN-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-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
N'-(3,4-dihydro-1H-isochromen-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 107149958
N,2,2-trimethyl-N-(piperidin-4-ylmethyl)-3,4-dihydrochromen-4-amine
CID 81140076
4-[3,4-dihydro-1H-isochromen-4-yl(methyl)amino]butanoic acid
CID 107150274
N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
CID 107150035
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
2-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 119931686
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361724
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485
N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79698911
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine (CID 107149986) is N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine is CN(CC1CCNCC1)C1COCc2ccccc21.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is NFPLNKIJSDHZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(10-13-6-8-17-9-7-13)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-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine?
N-methyl-N-(piperidin-4-ylmethyl)-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-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).