(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine

C11H21F2NO — CID 169181817

IUPAC(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
SMILESCC(C)O[C@@H](C)[C@@H]1CC(F)(F)CCN1C
InChIInChI=1S/C11H21F2NO/c1-8(2)15-9(3)10-7-11(12,13)5-6-14(10)4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyBTYNCKKZXQAIQN-UWVGGRQHSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds3

About (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine

(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine (PubChem CID 169181817) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
PubChem CID169181817
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine
SMILESCC(C)O[C@@H](C)[C@@H]1CC(F)(F)CCN1C
InChIInChI=1S/C11H21F2NO/c1-8(2)15-9(3)10-7-11(12,13)5-6-14(10)4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyBTYNCKKZXQAIQN-UWVGGRQHSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
The IUPAC name of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine (CID 169181817) is (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine.
What is the SMILES notation for (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
The canonical SMILES for (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine is CC(C)O[C@@H](C)[C@@H]1CC(F)(F)CCN1C.
What is the InChIKey of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
The InChIKey is BTYNCKKZXQAIQN-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(2)15-9(3)10-7-11(12,13)5-6-14(10)4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine?
(2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine has a molecular weight of 221.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]piperidine is sourced from PubChem (CID 169181817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).