1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine

C12H25FN2 — CID 58311605

IUPAC1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine
SMILESCC(F)CNC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H25FN2/c1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyDVECSSFYZQKVMJ-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.20
Rot. Bonds3

About 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine

1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine (PubChem CID 58311605) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine
PubChem CID58311605
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine
SMILESCC(F)CNC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H25FN2/c1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyDVECSSFYZQKVMJ-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine?
The IUPAC name of 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine (CID 58311605) is 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine is CC(F)CNC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine?
The InChIKey is DVECSSFYZQKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine?
1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine has a molecular weight of 216.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine is sourced from PubChem (CID 58311605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).