[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol

C15H22N2O — CID 79741079

IUPAC[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol
SMILESNc1ccc2c(c1)CCC2N1CCCCC1CO
InChIInChI=1S/C15H22N2O/c16-12-5-6-14-11(9-12)4-7-15(14)17-8-2-1-3-13(17)10-18/h5-6,9,13,15,18H,1-4,7-8,10,16H2
InChIKeyAHMCAJBPIMRZBL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.10
Rot. Bonds2

About [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol

[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol (PubChem CID 79741079) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol
PubChem CID79741079
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol
SMILESNc1ccc2c(c1)CCC2N1CCCCC1CO
InChIInChI=1S/C15H22N2O/c16-12-5-6-14-11(9-12)4-7-15(14)17-8-2-1-3-13(17)10-18/h5-6,9,13,15,18H,1-4,7-8,10,16H2
InChIKeyAHMCAJBPIMRZBL-UHFFFAOYSA-N
XLogP2.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol
CID 79741988
3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol
CID 79741638
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 82751547
1-(2-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107685129
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741366
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79936509
3-[2-(hydroxymethyl)azepan-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313934
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
CID 79741185
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one
CID 79741089

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol (CID 79741079) is [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol is Nc1ccc2c(c1)CCC2N1CCCCC1CO.
What is the InChIKey of [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol?
The InChIKey is AHMCAJBPIMRZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-12-5-6-14-11(9-12)4-7-15(14)17-8-2-1-3-13(17)10-18/h5-6,9,13,15,18H,1-4,7-8,10,16H2.
What are the key properties of [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol?
[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 79741079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).