1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol

C21H23NOS — CID 127027894

IUPAC1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol
SMILESCC1CCN(C(c2cccs2)c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C21H23NOS/c1-15-10-12-22(13-11-15)21(19-7-4-14-24-19)20-17-6-3-2-5-16(17)8-9-18(20)23/h2-9,14-15,21,23H,10-13H2,1H3
InChIKeyNPRUOOQZMHBMOT-UHFFFAOYSA-N
MW337.49 g/mol
LogP5.43
Rot. Bonds3

About 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol

1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol (PubChem CID 127027894) has the molecular formula C21H23NOS and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol
PubChem CID127027894
Molecular FormulaC21H23NOS
Molecular Weight337.49 g/mol
Exact Mass337.15
IUPAC Name1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol
SMILESCC1CCN(C(c2cccs2)c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C21H23NOS/c1-15-10-12-22(13-11-15)21(19-7-4-14-24-19)20-17-6-3-2-5-16(17)8-9-18(20)23/h2-9,14-15,21,23H,10-13H2,1H3
InChIKeyNPRUOOQZMHBMOT-UHFFFAOYSA-N
XLogP5.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Rotigotine
CID 59227
5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthalenol
CID 57537
N 0734
CID 128054
7-[Propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10041417
3-[(7R,8R,9aR)-7,8-dimethyl-2-(thiophen-2-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094388
(9R,10R)-17-(thiophen-2-ylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-ol
CID 44325319
3-[(7R,8R,9aR)-7,8-dimethyl-2-(thiophen-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094389
4-(3-(Methylamino)-1-(2-thienyl)propyl)-1-naphthalenol
CID 23641781
(-)-4-Benzo[b]thiophen-5-yl-2-methyl-1,2,3,4-tetrahydroisoquinoline-7-ol
CID 68997664
2-Naphthol, 1-((2-methylpiperidino)methyl)-
CID 60281
5-Methyl-4-propan-2-yl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 9503594
6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 9503598

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol (CID 127027894) is 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol is CC1CCN(C(c2cccs2)c2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol?
The InChIKey is NPRUOOQZMHBMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NOS/c1-15-10-12-22(13-11-15)21(19-7-4-14-24-19)20-17-6-3-2-5-16(17)8-9-18(20)23/h2-9,14-15,21,23H,10-13H2,1H3.
What are the key properties of 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol?
1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol has a molecular weight of 337.49 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 127027894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).