3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine

C14H20N2O — CID 105491696

IUPAC3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine
SMILESNc1cccc2c1OCC(N1CCCCC1)C2
InChIInChI=1S/C14H20N2O/c15-13-6-4-5-11-9-12(10-17-14(11)13)16-7-2-1-3-8-16/h4-6,12H,1-3,7-10,15H2
InChIKeyGTMYOOKXFLDCGO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.06
Rot. Bonds1

About 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine

3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine (PubChem CID 105491696) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine
PubChem CID105491696
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine
SMILESNc1cccc2c1OCC(N1CCCCC1)C2
InChIInChI=1S/C14H20N2O/c15-13-6-4-5-11-9-12(10-17-14(11)13)16-7-2-1-3-8-16/h4-6,12H,1-3,7-10,15H2
InChIKeyGTMYOOKXFLDCGO-UHFFFAOYSA-N
XLogP2.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-dimethyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 105446305
1-(3,4-dihydro-2H-chromen-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
CID 56859547
(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 129384642
3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine
CID 105447073
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpiperazine
CID 92968612
2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 63075904
1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
CID 68706500
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 23009493
3-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepin-5-one;hydrochloride
CID 86006334
2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 90422672
2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017555

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine?
The IUPAC name of 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine (CID 105491696) is 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine.
What is the SMILES notation for 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine?
The canonical SMILES for 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine is Nc1cccc2c1OCC(N1CCCCC1)C2.
What is the InChIKey of 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine?
The InChIKey is GTMYOOKXFLDCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13-6-4-5-11-9-12(10-17-14(11)13)16-7-2-1-3-8-16/h4-6,12H,1-3,7-10,15H2.
What are the key properties of 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine?
3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine has a molecular weight of 232.33 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-3,4-dihydro-2H-chromen-8-amine is sourced from PubChem (CID 105491696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).