2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine

C9H18F2N2O — CID 156802178

IUPAC2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCO[C@H]1CCNCC1(F)F
InChIInChI=1S/C9H18F2N2O/c1-13(2)5-6-14-8-3-4-12-7-9(8,10)11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyNMFYHTVUWPPWIF-QMMMGPOBSA-N
MW208.25 g/mol
LogP0.56
Rot. Bonds4

About 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine

2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 156802178) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine
PubChem CID156802178
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCO[C@H]1CCNCC1(F)F
InChIInChI=1S/C9H18F2N2O/c1-13(2)5-6-14-8-3-4-12-7-9(8,10)11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyNMFYHTVUWPPWIF-QMMMGPOBSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine (CID 156802178) is 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine is CN(C)CCO[C@H]1CCNCC1(F)F.
What is the InChIKey of 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is NMFYHTVUWPPWIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-13(2)5-6-14-8-3-4-12-7-9(8,10)11/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine?
2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 208.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3,3-difluoropiperidin-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 156802178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).