1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine

C14H28FNO — CID 58365092

IUPAC1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCC1(COC(C)(C)C)CCN(CCCF)CC1
InChIInChI=1S/C14H28FNO/c1-13(2,3)17-12-14(4)6-10-16(11-7-14)9-5-8-15/h5-12H2,1-4H3
InChIKeySDGKFRFSSJMZQI-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.26
Rot. Bonds5

About 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine

1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine (PubChem CID 58365092) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
PubChem CID58365092
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCC1(COC(C)(C)C)CCN(CCCF)CC1
InChIInChI=1S/C14H28FNO/c1-13(2,3)17-12-14(4)6-10-16(11-7-14)9-5-8-15/h5-12H2,1-4H3
InChIKeySDGKFRFSSJMZQI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The IUPAC name of 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine (CID 58365092) is 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The canonical SMILES for 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine is CC1(COC(C)(C)C)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The InChIKey is SDGKFRFSSJMZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-13(2,3)17-12-14(4)6-10-16(11-7-14)9-5-8-15/h5-12H2,1-4H3.
What are the key properties of 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine has a molecular weight of 245.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 58365092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).