4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine

C15H22FNO — CID 117382003

IUPAC4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
SMILESCOc1c(F)cc(C(C)C)cc1C1CCNCC1
InChIInChI=1S/C15H22FNO/c1-10(2)12-8-13(11-4-6-17-7-5-11)15(18-3)14(16)9-12/h8-11,17H,4-7H2,1-3H3
InChIKeyKEXORQZXHTVDLM-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.42
Rot. Bonds3

About 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine

4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine (PubChem CID 117382003) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
PubChem CID117382003
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
SMILESCOc1c(F)cc(C(C)C)cc1C1CCNCC1
InChIInChI=1S/C15H22FNO/c1-10(2)12-8-13(11-4-6-17-7-5-11)15(18-3)14(16)9-12/h8-11,17H,4-7H2,1-3H3
InChIKeyKEXORQZXHTVDLM-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine
CID 117418071
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
CID 117435548
4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
CID 117386422
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497527
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine
CID 84706137
3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117296630

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine?
The IUPAC name of 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine (CID 117382003) is 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine is COc1c(F)cc(C(C)C)cc1C1CCNCC1.
What is the InChIKey of 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine?
The InChIKey is KEXORQZXHTVDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)12-8-13(11-4-6-17-7-5-11)15(18-3)14(16)9-12/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine?
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117382003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).