1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine

C22H26FNO — CID 10359843

IUPAC1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine
SMILESFc1ccc(-c2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc1
InChIInChI=1S/C22H26FNO/c23-21-7-3-19(4-8-21)20-5-9-22(10-6-20)25-16-18-11-13-24(14-12-18)15-17-1-2-17/h3-10,17-18H,1-2,11-16H2
InChIKeyNSAGPFMSGUVVAX-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.99
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine

1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine (PubChem CID 10359843) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine
PubChem CID10359843
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine
SMILESFc1ccc(-c2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc1
InChIInChI=1S/C22H26FNO/c23-21-7-3-19(4-8-21)20-5-9-22(10-6-20)25-16-18-11-13-24(14-12-18)15-17-1-2-17/h3-10,17-18H,1-2,11-16H2
InChIKeyNSAGPFMSGUVVAX-UHFFFAOYSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine (CID 10359843) is 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine is Fc1ccc(-c2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine?
The InChIKey is NSAGPFMSGUVVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c23-21-7-3-19(4-8-21)20-5-9-22(10-6-20)25-16-18-11-13-24(14-12-18)15-17-1-2-17/h3-10,17-18H,1-2,11-16H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine?
1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine has a molecular weight of 339.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[[4-(4-fluorophenyl)phenoxy]methyl]piperidine is sourced from PubChem (CID 10359843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).