1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol

C18H26N2O — CID 18351299

IUPAC1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(CCC2=CCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-19-14-18(21)9-12-20(13-10-18)11-8-16-7-6-15-4-2-3-5-17(15)16/h2-5,7,19,21H,6,8-14H2,1H3
InChIKeyMUBDPHHVBHIJPX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.06
Rot. Bonds5

About 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol

1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 18351299) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID18351299
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(CCC2=CCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-19-14-18(21)9-12-20(13-10-18)11-8-16-7-6-15-4-2-3-5-17(15)16/h2-5,7,19,21H,6,8-14H2,1H3
InChIKeyMUBDPHHVBHIJPX-UHFFFAOYSA-N
XLogP2.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-1-phenethylpiperidin-4-ol
CID 90271
4-Piperidinol, 4-(1-aminopropyl)-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040612
4-(Aminomethyl)-1-phenethylpiperidin-4-ol dihydrochloride
CID 3015166
(4S)-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]azepan-4-ol
CID 171359274
4-(Dimethylphenyl)silyl-4-piperidol
CID 129787918
1-[(2-Fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
CID 39355997
1-[(3-Fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
CID 39355999
1-[(4-Fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
CID 39356001
1-[4-[[2-(Aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 64312754
1-[4-[[2-(Aminomethyl)-5-fluorophenyl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 64768732
1-[[2-(Aminomethyl)-4-fluorophenyl]methyl]-4-methylpiperidin-4-ol
CID 81097725
1-[[2-(Aminomethyl)-5-fluorophenyl]methyl]-4-methylpiperidin-4-ol
CID 81097957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol (CID 18351299) is 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol is CNCC1(O)CCN(CCC2=CCc3ccccc32)CC1.
What is the InChIKey of 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is MUBDPHHVBHIJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-14-18(21)9-12-20(13-10-18)11-8-16-7-6-15-4-2-3-5-17(15)16/h2-5,7,19,21H,6,8-14H2,1H3.
What are the key properties of 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 286.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3H-inden-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 18351299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).