1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride

C21H25ClFNO2 — CID 134230439

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride
SMILESCl.Fc1ccc(OC2CCN(CC3CCOc4ccccc43)CC2)cc1
InChIInChI=1S/C21H24FNO2.ClH/c22-17-5-7-18(8-6-17)25-19-9-12-23(13-10-19)15-16-11-14-24-21-4-2-1-3-20(16)21;/h1-8,16,19H,9-15H2;1H
InChIKeyBPZANWKCTIUVAS-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.66
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride (PubChem CID 134230439) has the molecular formula C21H25ClFNO2 and a molecular weight of 377.89 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride
PubChem CID134230439
Molecular FormulaC21H25ClFNO2
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride
SMILESCl.Fc1ccc(OC2CCN(CC3CCOc4ccccc43)CC2)cc1
InChIInChI=1S/C21H24FNO2.ClH/c22-17-5-7-18(8-6-17)25-19-9-12-23(13-10-19)15-16-11-14-24-21-4-2-1-3-20(16)21;/h1-8,16,19H,9-15H2;1H
InChIKeyBPZANWKCTIUVAS-UHFFFAOYSA-N
XLogP4.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(4-fluorophenoxy)azepane;hydrochloride
CID 134231651
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
CID 131899608
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 114802617
4-bromo-1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylpiperidine
CID 114682381
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperidine;4-fluorophenol
CID 142283431
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
4-[(4-fluorophenyl)sulfinylmethyl]-3,4-dihydro-2H-chromene
CID 104771979
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]acetic acid
CID 104768932
3-(bromomethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771438

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride (CID 134230439) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride is Cl.Fc1ccc(OC2CCN(CC3CCOc4ccccc43)CC2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride?
The InChIKey is BPZANWKCTIUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2.ClH/c22-17-5-7-18(8-6-17)25-19-9-12-23(13-10-19)15-16-11-14-24-21-4-2-1-3-20(16)21;/h1-8,16,19H,9-15H2;1H.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4-fluorophenoxy)piperidine;hydrochloride is sourced from PubChem (CID 134230439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).