[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine

C16H24N2O — CID 104524556

IUPAC[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
SMILESCC1COc2ccccc2C1N1CCC(CN)CC1
InChIInChI=1S/C16H24N2O/c1-12-11-19-15-5-3-2-4-14(15)16(12)18-8-6-13(10-17)7-9-18/h2-5,12-13,16H,6-11,17H2,1H3
InChIKeyLBPOKLDSHHLWBP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.43
Rot. Bonds2

About [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine

[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine (PubChem CID 104524556) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
PubChem CID104524556
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
SMILESCC1COc2ccccc2C1N1CCC(CN)CC1
InChIInChI=1S/C16H24N2O/c1-12-11-19-15-5-3-2-4-14(15)16(12)18-8-6-13(10-17)7-9-18/h2-5,12-13,16H,6-11,17H2,1H3
InChIKeyLBPOKLDSHHLWBP-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine
CID 104524583
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524796
2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524836
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 104524590
[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidin-4-yl]methanamine
CID 14950886
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine (CID 104524556) is [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine is CC1COc2ccccc2C1N1CCC(CN)CC1.
What is the InChIKey of [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine?
The InChIKey is LBPOKLDSHHLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-19-15-5-3-2-4-14(15)16(12)18-8-6-13(10-17)7-9-18/h2-5,12-13,16H,6-11,17H2,1H3.
What are the key properties of [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine?
[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 104524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).