1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine

C15H28FN — CID 21068523

IUPAC1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(CC2(F)CC2)CC1
InChIInChI=1S/C15H28FN/c1-12(2)15(13(3)4)7-9-17(10-8-15)11-14(16)5-6-14/h12-13H,5-11H2,1-4H3
InChIKeyAACCZRCUNBMVNM-UHFFFAOYSA-N
MW241.39 g/mol
LogP3.88
Rot. Bonds4

About 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine

1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine (PubChem CID 21068523) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine
PubChem CID21068523
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine
SMILESCC(C)C1(C(C)C)CCN(CC2(F)CC2)CC1
InChIInChI=1S/C15H28FN/c1-12(2)15(13(3)4)7-9-17(10-8-15)11-14(16)5-6-14/h12-13H,5-11H2,1-4H3
InChIKeyAACCZRCUNBMVNM-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine (CID 21068523) is 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine is CC(C)C1(C(C)C)CCN(CC2(F)CC2)CC1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine?
The InChIKey is AACCZRCUNBMVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN/c1-12(2)15(13(3)4)7-9-17(10-8-15)11-14(16)5-6-14/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine?
1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine has a molecular weight of 241.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-4,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 21068523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).