4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine

C15H19F2NO — CID 117421628

IUPAC4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
SMILESFc1cc(F)c(OCC2CC2)c(C2CCNCC2)c1
InChIInChI=1S/C15H19F2NO/c16-12-7-13(11-3-5-18-6-4-11)15(14(17)8-12)19-9-10-1-2-10/h7-8,10-11,18H,1-6,9H2
InChIKeyPIKJGQLZGWBNOA-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.22
Rot. Bonds4

About 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine

4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine (PubChem CID 117421628) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
PubChem CID117421628
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
SMILESFc1cc(F)c(OCC2CC2)c(C2CCNCC2)c1
InChIInChI=1S/C15H19F2NO/c16-12-7-13(11-3-5-18-6-4-11)15(14(17)8-12)19-9-10-1-2-10/h7-8,10-11,18H,1-6,9H2
InChIKeyPIKJGQLZGWBNOA-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine
CID 117499437
2-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421632
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile
CID 69036852
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
CID 117386422
2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene
CID 155606915
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
CID 79887966
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
CID 134347849
2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene
CID 90411177

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine (CID 117421628) is 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine is Fc1cc(F)c(OCC2CC2)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine?
The InChIKey is PIKJGQLZGWBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-7-13(11-3-5-18-6-4-11)15(14(17)8-12)19-9-10-1-2-10/h7-8,10-11,18H,1-6,9H2.
What are the key properties of 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine?
4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine has a molecular weight of 267.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine is sourced from PubChem (CID 117421628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).