(3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine

C10H19F2N — CID 178101266

IUPAC(3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@H]1CN(C)CCC1(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)6-9-7-13(3)5-4-10(9,11)12/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyZSCXSRFQHINSAC-SECBINFHSA-N
MW191.26 g/mol
LogP2.62
Rot. Bonds2

About (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine

(3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine (PubChem CID 178101266) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine
PubChem CID178101266
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name(3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@H]1CN(C)CCC1(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)6-9-7-13(3)5-4-10(9,11)12/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyZSCXSRFQHINSAC-SECBINFHSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine?
The IUPAC name of (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine (CID 178101266) is (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine is CC(C)C[C@@H]1CN(C)CCC1(F)F.
What is the InChIKey of (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine?
The InChIKey is ZSCXSRFQHINSAC-SECBINFHSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)6-9-7-13(3)5-4-10(9,11)12/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine?
(3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine has a molecular weight of 191.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 178101266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).