1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine

C16H31FN2 — CID 129258290

IUPAC1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine
SMILESCC1CC(C)CN(C2CCN(C(C)(C)C)CC2F)C1
InChIInChI=1S/C16H31FN2/c1-12-8-13(2)10-18(9-12)15-6-7-19(11-14(15)17)16(3,4)5/h12-15H,6-11H2,1-5H3
InChIKeySUQAWMSPXNODKE-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.18
Rot. Bonds1

About 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine

1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine (PubChem CID 129258290) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine
PubChem CID129258290
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine
SMILESCC1CC(C)CN(C2CCN(C(C)(C)C)CC2F)C1
InChIInChI=1S/C16H31FN2/c1-12-8-13(2)10-18(9-12)15-6-7-19(11-14(15)17)16(3,4)5/h12-15H,6-11H2,1-5H3
InChIKeySUQAWMSPXNODKE-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine?
The IUPAC name of 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine (CID 129258290) is 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine.
What is the SMILES notation for 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine?
The canonical SMILES for 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine is CC1CC(C)CN(C2CCN(C(C)(C)C)CC2F)C1.
What is the InChIKey of 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine?
The InChIKey is SUQAWMSPXNODKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2/c1-12-8-13(2)10-18(9-12)15-6-7-19(11-14(15)17)16(3,4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine?
1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine has a molecular weight of 270.44 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine is sourced from PubChem (CID 129258290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).