4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol

C16H24N2O2 — CID 114502234

IUPAC4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)C1(CN)COc2ccccc2C1
InChIInChI=1S/C16H24N2O2/c1-12-9-18-7-6-16(12,19)15(10-17)8-13-4-2-3-5-14(13)20-11-15/h2-5,12,18-19H,6-11,17H2,1H3
InChIKeyXRCJBVXAWLMSAM-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.93
Rot. Bonds2

About 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol

4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol (PubChem CID 114502234) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol
PubChem CID114502234
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)C1(CN)COc2ccccc2C1
InChIInChI=1S/C16H24N2O2/c1-12-9-18-7-6-16(12,19)15(10-17)8-13-4-2-3-5-14(13)20-11-15/h2-5,12,18-19H,6-11,17H2,1H3
InChIKeyXRCJBVXAWLMSAM-UHFFFAOYSA-N
XLogP0.93
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol (CID 114502234) is 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol is CC1CNCCC1(O)C1(CN)COc2ccccc2C1.
What is the InChIKey of 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol?
The InChIKey is XRCJBVXAWLMSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-18-7-6-16(12,19)15(10-17)8-13-4-2-3-5-14(13)20-11-15/h2-5,12,18-19H,6-11,17H2,1H3.
What are the key properties of 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol?
4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol has a molecular weight of 276.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114502234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).