1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine

C16H22FNO — CID 10015631

IUPAC1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeyGXKBHNBKDZPNIG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.33
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine

1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine (PubChem CID 10015631) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine
PubChem CID10015631
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeyGXKBHNBKDZPNIG-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.33
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-fluorophenoxy)methyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine (CID 10015631) is 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine is Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine?
The InChIKey is GXKBHNBKDZPNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine?
1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine has a molecular weight of 263.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 10015631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).