1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol

C22H28FNO2 — CID 142283431

IUPAC1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol
SMILESOc1ccc(F)cc1.c1ccc2c(c1)OCCC2CCN1CCCCC1
InChIInChI=1S/C16H23NO.C6H5FO/c1-4-10-17(11-5-1)12-8-14-9-13-18-16-7-3-2-6-15(14)16;7-5-1-3-6(8)4-2-5/h2-3,6-7,14H,1,4-5,8-13H2;1-4,8H
InChIKeyRYXFMKGPZFDLJV-UHFFFAOYSA-N
MW357.47 g/mol
LogP4.96
Rot. Bonds3

About 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol

1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol (PubChem CID 142283431) has the molecular formula C22H28FNO2 and a molecular weight of 357.47 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol
PubChem CID142283431
Molecular FormulaC22H28FNO2
Molecular Weight357.47 g/mol
Exact Mass357.21
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol
SMILESOc1ccc(F)cc1.c1ccc2c(c1)OCCC2CCN1CCCCC1
InChIInChI=1S/C16H23NO.C6H5FO/c1-4-10-17(11-5-1)12-8-14-9-13-18-16-7-3-2-6-15(14)16;7-5-1-3-6(8)4-2-5/h2-3,6-7,14H,1,4-5,8-13H2;1-4,8H
InChIKeyRYXFMKGPZFDLJV-UHFFFAOYSA-N
XLogP4.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol
CID 22154312
3-[1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidin-4-yl]phenol;hydrobromide
CID 70360222
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56792165
N-[4-[1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidin-4-yl]phenyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
CID 22154220
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 22154243
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride
CID 134230439
4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene
CID 104771979
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-pyridin-3-ylmethanone;hydrate;dihydrochloride
CID 19829443
[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]-(4-nitrophenyl)methanone;hydrochloride
CID 22154223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol (CID 142283431) is 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol is Oc1ccc(F)cc1.c1ccc2c(c1)OCCC2CCN1CCCCC1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol?
The InChIKey is RYXFMKGPZFDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C6H5FO/c1-4-10-17(11-5-1)12-8-14-9-13-18-16-7-3-2-6-15(14)16;7-5-1-3-6(8)4-2-5/h2-3,6-7,14H,1,4-5,8-13H2;1-4,8H.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol?
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol has a molecular weight of 357.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol is sourced from PubChem (CID 142283431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).