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

C17H26N2O — CID 115889758

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCC1OCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-13-12-19(2)9-7-16(13)18-11-17-15-6-4-3-5-14(15)8-10-20-17/h3-6,13,16-18H,7-12H2,1-2H3
InChIKeyTXNMRYCWITVVEK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.23
Rot. Bonds3

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

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 115889758) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine
PubChem CID115889758
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCC1OCCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-13-12-19(2)9-7-16(13)18-11-17-15-6-4-3-5-14(15)8-10-20-17/h3-6,13,16-18H,7-12H2,1-2H3
InChIKeyTXNMRYCWITVVEK-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine (CID 115889758) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is TXNMRYCWITVVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-12-19(2)9-7-16(13)18-11-17-15-6-4-3-5-14(15)8-10-20-17/h3-6,13,16-18H,7-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.23, 3 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-1-ylmethyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115889758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).