4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride

C19H22Cl2FNO — CID 67463846

IUPAC4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride
SMILESCl.FC(CC1(c2ccc(Cl)cc2)CCNCC1)Oc1ccccc1
InChIInChI=1S/C19H21ClFNO.ClH/c20-16-8-6-15(7-9-16)19(10-12-22-13-11-19)14-18(21)23-17-4-2-1-3-5-17;/h1-9,18,22H,10-14H2;1H
InChIKeyPVSPIJMHMAORTL-UHFFFAOYSA-N
MW370.30 g/mol
LogP5.15
Rot. Bonds5

About 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride

4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride (PubChem CID 67463846) has the molecular formula C19H22Cl2FNO and a molecular weight of 370.30 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride
PubChem CID67463846
Molecular FormulaC19H22Cl2FNO
Molecular Weight370.30 g/mol
Exact Mass369.11
IUPAC Name4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride
SMILESCl.FC(CC1(c2ccc(Cl)cc2)CCNCC1)Oc1ccccc1
InChIInChI=1S/C19H21ClFNO.ClH/c20-16-8-6-15(7-9-16)19(10-12-22-13-11-19)14-18(21)23-17-4-2-1-3-5-17;/h1-9,18,22H,10-14H2;1H
InChIKeyPVSPIJMHMAORTL-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-4-(methoxymethyl)piperidine
CID 58117649
[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
CID 143339018
4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine
CID 19960203
4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine
CID 57247335
4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
CID 54490873
N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamine
CID 63155191
3-[2-(4-fluoropiperidin-4-yl)-1-phenoxyethyl]aniline
CID 67461773
4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
CID 82480025
4-(4-chlorophenyl)-4-prop-2-enoxypiperidine
CID 131863571
3-(2-methoxyethyl)-3-phenylpyrrolidine
CID 154163341
fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
CID 143493859
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride (CID 67463846) is 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride is Cl.FC(CC1(c2ccc(Cl)cc2)CCNCC1)Oc1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride?
The InChIKey is PVSPIJMHMAORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO.ClH/c20-16-8-6-15(7-9-16)19(10-12-22-13-11-19)14-18(21)23-17-4-2-1-3-5-17;/h1-9,18,22H,10-14H2;1H.
What are the key properties of 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride?
4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride has a molecular weight of 370.30 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride is sourced from PubChem (CID 67463846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).