3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol

C18H23NO — CID 114511208

IUPAC3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol
SMILESCCC1CN(Cc2cccc3ccccc23)CCC1O
InChIInChI=1S/C18H23NO/c1-2-14-12-19(11-10-18(14)20)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18,20H,2,10-13H2,1H3
InChIKeyIKRMLXURRFOZBL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.43
Rot. Bonds3

About 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol

3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol (PubChem CID 114511208) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol
PubChem CID114511208
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol
SMILESCCC1CN(Cc2cccc3ccccc23)CCC1O
InChIInChI=1S/C18H23NO/c1-2-14-12-19(11-10-18(14)20)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18,20H,2,10-13H2,1H3
InChIKeyIKRMLXURRFOZBL-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
methyl 2-[2-[(3-ethyl-4-hydroxypiperidin-1-yl)methyl]phenyl]acetate
CID 114511061
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
3-bromo-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 80675511
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495523
N,3-dimethyl-1-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 62369775
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114511185

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol (CID 114511208) is 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol is CCC1CN(Cc2cccc3ccccc23)CCC1O.
What is the InChIKey of 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol?
The InChIKey is IKRMLXURRFOZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-14-12-19(11-10-18(14)20)13-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18,20H,2,10-13H2,1H3.
What are the key properties of 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol?
3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol has a molecular weight of 269.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(naphthalen-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 114511208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).