1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol

C17H26N2O — CID 107684985

IUPAC1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol
SMILESCN(C)CC1CCN(C2CCc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O/c1-18(2)12-13-7-9-19(10-8-13)17-6-3-14-11-15(20)4-5-16(14)17/h4-5,11,13,17,20H,3,6-10,12H2,1-2H3
InChIKeyQFDJNAPMAXGWAV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.65
Rot. Bonds3

About 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol

1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107684985) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol
PubChem CID107684985
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol
SMILESCN(C)CC1CCN(C2CCc3cc(O)ccc32)CC1
InChIInChI=1S/C17H26N2O/c1-18(2)12-13-7-9-19(10-8-13)17-6-3-14-11-15(20)4-5-16(14)17/h4-5,11,13,17,20H,3,6-10,12H2,1-2H3
InChIKeyQFDJNAPMAXGWAV-UHFFFAOYSA-N
XLogP2.65
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129390892
5-(4-ethylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82985819
(1S)-1-piperidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129389365
1-(4-ethylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684921
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-ol
CID 107684907
1-[methyl(oxan-4-ylmethyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685082
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
1-(2,2,6,6-tetramethylmorpholin-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 107685147
N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride
CID 67567500
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol (CID 107684985) is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol is CN(C)CC1CCN(C2CCc3cc(O)ccc32)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is QFDJNAPMAXGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18(2)12-13-7-9-19(10-8-13)17-6-3-14-11-15(20)4-5-16(14)17/h4-5,11,13,17,20H,3,6-10,12H2,1-2H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol?
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 274.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107684985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).