(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine

C9H18F2N2O — CID 129231191

IUPAC(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC[C@@H](OC(F)F)[C@@H](N)C1
InChIInChI=1S/C9H18F2N2O/c1-6(2)13-4-3-8(7(12)5-13)14-9(10)11/h6-9H,3-5,12H2,1-2H3/t7-,8+/m0/s1
InChIKeyPQSPAUGMGHGNLK-JGVFFNPUSA-N
MW208.25 g/mol
LogP1.04
Rot. Bonds3

About (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine

(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine (PubChem CID 129231191) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
PubChem CID129231191
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC[C@@H](OC(F)F)[C@@H](N)C1
InChIInChI=1S/C9H18F2N2O/c1-6(2)13-4-3-8(7(12)5-13)14-9(10)11/h6-9H,3-5,12H2,1-2H3/t7-,8+/m0/s1
InChIKeyPQSPAUGMGHGNLK-JGVFFNPUSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine (CID 129231191) is (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine is CC(C)N1CC[C@@H](OC(F)F)[C@@H](N)C1.
What is the InChIKey of (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is PQSPAUGMGHGNLK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-6(2)13-4-3-8(7(12)5-13)14-9(10)11/h6-9H,3-5,12H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine?
(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 208.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 129231191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).