(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine

C11H21F2N — CID 176933645

IUPAC(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
SMILESCCC(C)N1CC[C@H](CC)C(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-4-9(3)14-7-6-10(5-2)11(12,13)8-14/h9-10H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyRHEMKROTNVVUAV-AXDSSHIGSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds3

About (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine

(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine (PubChem CID 176933645) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine.

Molecular Properties

Compound Name(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
PubChem CID176933645
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine
SMILESCCC(C)N1CC[C@H](CC)C(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-4-9(3)14-7-6-10(5-2)11(12,13)8-14/h9-10H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyRHEMKROTNVVUAV-AXDSSHIGSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine 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

(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 157352955
3,3-difluoro-1-propan-2-yl-4-propylpiperidine
CID 162618217
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
CID 117024779
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916
5-bromo-1-butan-2-yl-3,3-dimethylazepane
CID 130933849
1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine
CID 177203992
2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 130621001
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
CID 170578445
1-butan-2-yl-3-chloropyrrolidine
CID 79445434

Frequently Asked Questions

What is the IUPAC name of (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine?
The IUPAC name of (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine (CID 176933645) is (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine.
What is the SMILES notation for (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine?
The canonical SMILES for (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine is CCC(C)N1CC[C@H](CC)C(F)(F)C1.
What is the InChIKey of (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine?
The InChIKey is RHEMKROTNVVUAV-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21F2N/c1-4-9(3)14-7-6-10(5-2)11(12,13)8-14/h9-10H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine?
(4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-butan-2-yl-4-ethyl-3,3-difluoropiperidine is sourced from PubChem (CID 176933645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).