1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine

C14H28FNO — CID 134271526

IUPAC1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine
SMILESCC(F)OC1CCN(CCCC(C)(C)C)CC1
InChIInChI=1S/C14H28FNO/c1-12(15)17-13-6-10-16(11-7-13)9-5-8-14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyMRUUJFLXWPVRKE-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.61
Rot. Bonds5

About 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine

1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine (PubChem CID 134271526) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine
PubChem CID134271526
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine
SMILESCC(F)OC1CCN(CCCC(C)(C)C)CC1
InChIInChI=1S/C14H28FNO/c1-12(15)17-13-6-10-16(11-7-13)9-5-8-14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyMRUUJFLXWPVRKE-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine?
The IUPAC name of 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine (CID 134271526) is 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine is CC(F)OC1CCN(CCCC(C)(C)C)CC1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine?
The InChIKey is MRUUJFLXWPVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-12(15)17-13-6-10-16(11-7-13)9-5-8-14(2,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine?
1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine has a molecular weight of 245.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-4-(1-fluoroethoxy)piperidine is sourced from PubChem (CID 134271526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).