1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride

C16H25ClFN — CID 131865136

IUPAC1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride
SMILESCC(C)c1ccc(C(F)CN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H24FN.ClH/c1-13(2)14-6-8-15(9-7-14)16(17)12-18-10-4-3-5-11-18;/h6-9,13,16H,3-5,10-12H2,1-2H3;1H
InChIKeyMNAMUGZMYNWRFS-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.73
Rot. Bonds4

About 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride

1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride (PubChem CID 131865136) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride
PubChem CID131865136
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride
SMILESCC(C)c1ccc(C(F)CN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H24FN.ClH/c1-13(2)14-6-8-15(9-7-14)16(17)12-18-10-4-3-5-11-18;/h6-9,13,16H,3-5,10-12H2,1-2H3;1H
InChIKeyMNAMUGZMYNWRFS-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
CID 153405634
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
1-[2-(4-tert-butylphenyl)propyl]piperidine
CID 73116860
1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
CID 58513850
1-(azepan-1-yl)-3-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 43865760
4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 82215482
4-[2-(azepan-1-yl)-1-chloroethyl]-N,N-dimethylaniline
CID 82215457
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-4-propan-2-ylbenzamide
CID 67774408

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride (CID 131865136) is 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride is CC(C)c1ccc(C(F)CN2CCCCC2)cc1.Cl.
What is the InChIKey of 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride?
The InChIKey is MNAMUGZMYNWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN.ClH/c1-13(2)14-6-8-15(9-7-14)16(17)12-18-10-4-3-5-11-18;/h6-9,13,16H,3-5,10-12H2,1-2H3;1H.
What are the key properties of 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride?
1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride has a molecular weight of 285.83 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 131865136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).