(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine

C7H14F2N2O — CID 129230044

IUPAC(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine
SMILESCN1CC[C@@H](OC(F)F)[C@@H](N)C1
InChIInChI=1S/C7H14F2N2O/c1-11-3-2-6(5(10)4-11)12-7(8)9/h5-7H,2-4,10H2,1H3/t5-,6+/m0/s1
InChIKeyDEHYKLSRZBKQHK-NTSWFWBYSA-N
MW180.20 g/mol
LogP0.26
Rot. Bonds2

About (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine

(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine (PubChem CID 129230044) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine
PubChem CID129230044
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine
SMILESCN1CC[C@@H](OC(F)F)[C@@H](N)C1
InChIInChI=1S/C7H14F2N2O/c1-11-3-2-6(5(10)4-11)12-7(8)9/h5-7H,2-4,10H2,1H3/t5-,6+/m0/s1
InChIKeyDEHYKLSRZBKQHK-NTSWFWBYSA-N
XLogP0.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(Trifluoromethoxy)ethyl]piperidin-3-amine
CID 65805892
1-(3-Fluoro-4-methoxypiperidin-1-yl)propan-2-amine
CID 69000244
4-Methoxypiperidin-3-amine
CID 76223539
(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine
CID 102985273
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride
CID 122669557
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
CID 122669558
4-(2,2,2-Trifluoroethoxy)piperidin-3-amine
CID 123362223
4-[2-(Dimethylamino)ethoxy]-6-(trifluoromethyl)piperidin-3-amine
CID 123775383
4-(Difluoromethoxy)-1-methylpiperidin-3-amine
CID 129230034
4-(Difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231168
(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231191
1-Ethyl-5-fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
CID 130280166

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine?
The IUPAC name of (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine (CID 129230044) is (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine?
The canonical SMILES for (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine is CN1CC[C@@H](OC(F)F)[C@@H](N)C1.
What is the InChIKey of (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine?
The InChIKey is DEHYKLSRZBKQHK-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-11-3-2-6(5(10)4-11)12-7(8)9/h5-7H,2-4,10H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine?
(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine has a molecular weight of 180.20 g/mol, XLogP of 0.26, 2 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-methylpiperidin-3-amine is sourced from PubChem (CID 129230044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).