1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride

C20H31ClFNO — CID 45262178

IUPAC1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30FNO.ClH/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17;/h6-9,17,19H,1-5,10-16H2;1H
InChIKeyRSZDZILEDUMCDB-UHFFFAOYSA-N
MW355.93 g/mol
LogP5.06
Rot. Bonds6

About 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride

1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride (PubChem CID 45262178) has the molecular formula C20H31ClFNO and a molecular weight of 355.93 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride
PubChem CID45262178
Molecular FormulaC20H31ClFNO
Molecular Weight355.93 g/mol
Exact Mass355.21
IUPAC Name1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(COCC2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30FNO.ClH/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17;/h6-9,17,19H,1-5,10-16H2;1H
InChIKeyRSZDZILEDUMCDB-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.93
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
The IUPAC name of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride (CID 45262178) is 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride is Cl.Fc1ccc(COCC2CCN(CC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
The InChIKey is RSZDZILEDUMCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO.ClH/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17;/h6-9,17,19H,1-5,10-16H2;1H.
What are the key properties of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride?
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride has a molecular weight of 355.93 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methoxymethyl]piperidine;hydrochloride is sourced from PubChem (CID 45262178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).