4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C17H25NO — CID 117402935

IUPAC4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1c(CC2CCNCC2)c(O)cc2c1CCCC2
InChIInChI=1S/C17H25NO/c1-12-15-5-3-2-4-14(15)11-17(19)16(12)10-13-6-8-18-9-7-13/h11,13,18-19H,2-10H2,1H3
InChIKeyKWKUYVOBNCQZKK-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.12
Rot. Bonds2

About 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117402935) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117402935
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1c(CC2CCNCC2)c(O)cc2c1CCCC2
InChIInChI=1S/C17H25NO/c1-12-15-5-3-2-4-14(15)11-17(19)16(12)10-13-6-8-18-9-7-13/h11,13,18-19H,2-10H2,1H3
InChIKeyKWKUYVOBNCQZKK-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 84794766
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 117486676
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
CID 117364513
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117402935) is 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1c(CC2CCNCC2)c(O)cc2c1CCCC2.
What is the InChIKey of 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is KWKUYVOBNCQZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-15-5-3-2-4-14(15)11-17(19)16(12)10-13-6-8-18-9-7-13/h11,13,18-19H,2-10H2,1H3.
What are the key properties of 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 259.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117402935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).