4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine

C22H29F2NO — CID 146440633

IUPAC4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine
SMILESCC(C)c1cc2ccccc2cc1OCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C22H29F2NO/c1-17(2)20-15-18-7-3-4-8-19(18)16-21(20)26-14-6-5-11-25-12-9-22(23,24)10-13-25/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3
InChIKeyIQQLTFUPXWQXKL-UHFFFAOYSA-N
MW361.48 g/mol
LogP5.85
Rot. Bonds7

About 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine

4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine (PubChem CID 146440633) has the molecular formula C22H29F2NO and a molecular weight of 361.48 g/mol. Its IUPAC name is 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine
PubChem CID146440633
Molecular FormulaC22H29F2NO
Molecular Weight361.48 g/mol
Exact Mass361.22
IUPAC Name4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine
SMILESCC(C)c1cc2ccccc2cc1OCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C22H29F2NO/c1-17(2)20-15-18-7-3-4-8-19(18)16-21(20)26-14-6-5-11-25-12-9-22(23,24)10-13-25/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3
InChIKeyIQQLTFUPXWQXKL-UHFFFAOYSA-N
XLogP5.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.48
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-Dimethyl-1-(3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl)piperidine
CID 10245193
3-(6-Methoxy-2-naphthalenyl)-1-azabicyclo[2.2.2]oct-2-ene
CID 11550718
1-[5-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-pentyl]-3,3-dimethyl-piperidine
CID 10523792
1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-3,3-dimethyl-piperidine
CID 10595029
4-Benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperidine
CID 10595772
1-(4-(6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl)-3,3-dimethylpiperidine
CID 10713913
1-[4-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-3,3-dimethyl-piperidine
CID 10808860
12-[4-(2-Piperidin-1-ylethoxy)phenyl]-7,12-dihydrobenzo[a]anthracene-3,8-diol
CID 10479627
1-[4-(6-Methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
CID 11631897
Pyrrolidine, 1-[4-(1-naphthalenyloxy)butyl]-
CID 2237947
Skf-10810
CID 30996
4-[(2-Naphthyloxy)methyl]piperidine
CID 24691160

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine (CID 146440633) is 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine is CC(C)c1cc2ccccc2cc1OCCCCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine?
The InChIKey is IQQLTFUPXWQXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2NO/c1-17(2)20-15-18-7-3-4-8-19(18)16-21(20)26-14-6-5-11-25-12-9-22(23,24)10-13-25/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3.
What are the key properties of 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine?
4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine has a molecular weight of 361.48 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine is sourced from PubChem (CID 146440633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).