(3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine

C16H31FN2 — CID 129258483

IUPAC(3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine
SMILESC[C@@H]1C[C@H](C)CN([C@@H]2CCN(C(C)(C)C)C[C@@H]2F)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/t12-,13+,14-,15+/m0/s1
InChIKeySUQAWMSPXNODKE-LJISPDSOSA-N
MW270.44 g/mol
LogP3.18
Rot. Bonds1

About (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine

(3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine (PubChem CID 129258483) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine.

Molecular Properties

Compound Name(3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine
PubChem CID129258483
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name(3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine
SMILESC[C@@H]1C[C@H](C)CN([C@@H]2CCN(C(C)(C)C)C[C@@H]2F)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/t12-,13+,14-,15+/m0/s1
InChIKeySUQAWMSPXNODKE-LJISPDSOSA-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 (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine?
The IUPAC name of (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine (CID 129258483) is (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine.
What is the SMILES notation for (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine?
The canonical SMILES for (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine is C[C@@H]1C[C@H](C)CN([C@@H]2CCN(C(C)(C)C)C[C@@H]2F)C1.
What is the InChIKey of (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine?
The InChIKey is SUQAWMSPXNODKE-LJISPDSOSA-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/t12-,13+,14-,15+/m0/s1.
What are the key properties of (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine?
(3S,4R)-1-tert-butyl-4-[(3S,5R)-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 (3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine is sourced from PubChem (CID 129258483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).