(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone

C21H23NO2 — CID 47736856

IUPAC(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C21H23NO2/c1-2-24-18-7-5-11-22(14-18)21(23)16-9-10-20-17(13-16)12-15-6-3-4-8-19(15)20/h3-4,6,8-10,13,18H,2,5,7,11-12,14H2,1H3
InChIKeyDHYWXRVNCKKMAH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.90
Rot. Bonds3

About (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone

(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone (PubChem CID 47736856) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone
PubChem CID47736856
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C21H23NO2/c1-2-24-18-7-5-11-22(14-18)21(23)16-9-10-20-17(13-16)12-15-6-3-4-8-19(15)20/h3-4,6,8-10,13,18H,2,5,7,11-12,14H2,1H3
InChIKeyDHYWXRVNCKKMAH-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(9H-fluoren-2-yl)methanone
CID 39878233
(2,6-dimethylmorpholin-4-yl)-(9H-fluoren-2-yl)methanone
CID 71896788
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone (CID 47736856) is (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone is CCOC1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone?
The InChIKey is DHYWXRVNCKKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-24-18-7-5-11-22(14-18)21(23)16-9-10-20-17(13-16)12-15-6-3-4-8-19(15)20/h3-4,6,8-10,13,18H,2,5,7,11-12,14H2,1H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone?
(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone is sourced from PubChem (CID 47736856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).