N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C16H25N3O — CID 107149381

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCN(C)C(CNC2COCc3ccccc32)C1
InChIInChI=1S/C16H25N3O/c1-18-7-8-19(2)14(10-18)9-17-16-12-20-11-13-5-3-4-6-15(13)16/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyHZHGSMYEQNNEHZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.09
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149381) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149381
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCN1CCN(C)C(CNC2COCc3ccccc32)C1
InChIInChI=1S/C16H25N3O/c1-18-7-8-19(2)14(10-18)9-17-16-12-20-11-13-5-3-4-6-15(13)16/h3-6,14,16-17H,7-12H2,1-2H3
InChIKeyHZHGSMYEQNNEHZ-UHFFFAOYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291
N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149463
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82798101
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115718703
N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
CID 107148958
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63897806
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-(2-ethylhexyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148861
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149381) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is CN1CCN(C)C(CNC2COCc3ccccc32)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is HZHGSMYEQNNEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-7-8-19(2)14(10-18)9-17-16-12-20-11-13-5-3-4-6-15(13)16/h3-6,14,16-17H,7-12H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).