8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C16H23ClN2O — CID 82188183

IUPAC8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCCN(CC2COc3c(Cl)cccc3C2N)C1
InChIInChI=1S/C16H23ClN2O/c1-11-4-3-7-19(8-11)9-12-10-20-16-13(15(12)18)5-2-6-14(16)17/h2,5-6,11-12,15H,3-4,7-10,18H2,1H3
InChIKeyOMGJSXPXFLVSMG-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.08
Rot. Bonds2

About 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188183) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188183
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCCN(CC2COc3c(Cl)cccc3C2N)C1
InChIInChI=1S/C16H23ClN2O/c1-11-4-3-7-19(8-11)9-12-10-20-16-13(15(12)18)5-2-6-14(16)17/h2,5-6,11-12,15H,3-4,7-10,18H2,1H3
InChIKeyOMGJSXPXFLVSMG-UHFFFAOYSA-N
XLogP3.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188064
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188074
8-chloro-3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188187
8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188166
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188120
3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567119
6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188264
1-benzyl-3-methylpiperidine
CID 2794856
3-[(4-methylpiperidin-1-yl)methyl]-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82188114

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 82188183) is 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is CC1CCCN(CC2COc3c(Cl)cccc3C2N)C1.
What is the InChIKey of 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OMGJSXPXFLVSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-4-3-7-19(8-11)9-12-10-20-16-13(15(12)18)5-2-6-14(16)17/h2,5-6,11-12,15H,3-4,7-10,18H2,1H3.
What are the key properties of 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 294.83 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(3-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).