1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine

C15H22FNO — CID 139472444

IUPAC1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine
SMILESCC(C)Oc1cccc(F)c1CN1CCCCC1
InChIInChI=1S/C15H22FNO/c1-12(2)18-15-8-6-7-14(16)13(15)11-17-9-4-3-5-10-17/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyFUYKUNPZNABEHF-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.60
Rot. Bonds4

About 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine

1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine (PubChem CID 139472444) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine
PubChem CID139472444
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine
SMILESCC(C)Oc1cccc(F)c1CN1CCCCC1
InChIInChI=1S/C15H22FNO/c1-12(2)18-15-8-6-7-14(16)13(15)11-17-9-4-3-5-10-17/h6-8,12H,3-5,9-11H2,1-2H3
InChIKeyFUYKUNPZNABEHF-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine
CID 139472470
1-[(2-methoxy-6-propan-2-yloxyphenyl)methyl]piperazine
CID 117415818
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044
ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997
1-[1-(2-chloro-3-fluorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
CID 66870915
1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 120838232
benzyl N-[(1R)-2-[4-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]ethyl]carbamate
CID 176882439
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 3701376
[1-[[2-(dimethylamino)-6-propan-2-yloxyphenyl]methyl]piperidin-4-yl]carbamic acid
CID 68953183

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine (CID 139472444) is 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine is CC(C)Oc1cccc(F)c1CN1CCCCC1.
What is the InChIKey of 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine?
The InChIKey is FUYKUNPZNABEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12(2)18-15-8-6-7-14(16)13(15)11-17-9-4-3-5-10-17/h6-8,12H,3-5,9-11H2,1-2H3.
What are the key properties of 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine?
1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine is sourced from PubChem (CID 139472444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).