1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol

C17H26N2O — CID 107682738

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCN1CCC(C)(CNC2CCc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O/c1-17(7-9-19(2)10-8-17)12-18-16-6-3-13-11-14(20)4-5-15(13)16/h4-5,11,16,18,20H,3,6-10,12H2,1-2H3
InChIKeyTXHQCCRTZGOHIS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.70
Rot. Bonds3

About 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol

1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682738) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682738
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol
SMILESCN1CCC(C)(CNC2CCc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O/c1-17(7-9-19(2)10-8-17)12-18-16-6-3-13-11-14(20)4-5-15(13)16/h4-5,11,16,18,20H,3,6-10,12H2,1-2H3
InChIKeyTXHQCCRTZGOHIS-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103965960
1-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107681901
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,2-dimethylpropanenitrile
CID 107682691
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol (CID 107682738) is 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol is CN1CCC(C)(CNC2CCc3cc(O)ccc32)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is TXHQCCRTZGOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(7-9-19(2)10-8-17)12-18-16-6-3-13-11-14(20)4-5-15(13)16/h4-5,11,16,18,20H,3,6-10,12H2,1-2H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol?
1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 274.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).