(3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone

C16H27F2NO — CID 58564024

IUPAC(3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H27F2NO/c1-15(2,3)13-5-4-10-19(11-13)14(20)12-6-8-16(17,18)9-7-12/h12-13H,4-11H2,1-3H3
InChIKeyPUWPQUMATJZYPM-UHFFFAOYSA-N
MW287.39 g/mol
LogP4.10
Rot. Bonds1

About (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone

(3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone (PubChem CID 58564024) has the molecular formula C16H27F2NO and a molecular weight of 287.39 g/mol. Its IUPAC name is (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone
PubChem CID58564024
Molecular FormulaC16H27F2NO
Molecular Weight287.39 g/mol
Exact Mass287.21
IUPAC Name(3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H27F2NO/c1-15(2,3)13-5-4-10-19(11-13)14(20)12-6-8-16(17,18)9-7-12/h12-13H,4-11H2,1-3H3
InChIKeyPUWPQUMATJZYPM-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone (CID 58564024) is (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone is CC(C)(C)C1CCCN(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The InChIKey is PUWPQUMATJZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2NO/c1-15(2,3)13-5-4-10-19(11-13)14(20)12-6-8-16(17,18)9-7-12/h12-13H,4-11H2,1-3H3.
What are the key properties of (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
(3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone has a molecular weight of 287.39 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 58564024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).