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

C16H24FNO — CID 117418071

IUPAC4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine
SMILESCOc1c(F)cc(C(C)C)cc1CC1CCNCC1
InChIInChI=1S/C16H24FNO/c1-11(2)13-9-14(16(19-3)15(17)10-13)8-12-4-6-18-7-5-12/h9-12,18H,4-8H2,1-3H3
InChIKeyLEQUQOYNTNPVKQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.50
Rot. Bonds4

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

4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine (PubChem CID 117418071) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine
PubChem CID117418071
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine
SMILESCOc1c(F)cc(C(C)C)cc1CC1CCNCC1
InChIInChI=1S/C16H24FNO/c1-11(2)13-9-14(16(19-3)15(17)10-13)8-12-4-6-18-7-5-12/h9-12,18H,4-8H2,1-3H3
InChIKeyLEQUQOYNTNPVKQ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117382042
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
CID 117343574
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine (CID 117418071) is 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine is COc1c(F)cc(C(C)C)cc1CC1CCNCC1.
What is the InChIKey of 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is LEQUQOYNTNPVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)13-9-14(16(19-3)15(17)10-13)8-12-4-6-18-7-5-12/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine?
4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 265.37 g/mol, XLogP of 3.50, 4 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)methyl]piperidine is sourced from PubChem (CID 117418071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).