(3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine

C10H20FN — CID 58394777

IUPAC(3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
SMILESCCN1CCC(C(C)C)[C@@H](F)C1
InChIInChI=1S/C10H20FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyDPPPIPUQUHAIKE-AXDSSHIGSA-N
MW173.28 g/mol
LogP2.32
Rot. Bonds2

About (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine

(3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine (PubChem CID 58394777) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
PubChem CID58394777
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name(3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
SMILESCCN1CCC(C(C)C)[C@@H](F)C1
InChIInChI=1S/C10H20FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyDPPPIPUQUHAIKE-AXDSSHIGSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Ethyl-3-methylpiperidine
CID 102760
1-Propyl-4-methylpiperidine
CID 4100429
N-Isopentylpiperidine
CID 523252
cis-1,3,5-Trimethylpiperidine
CID 642618
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
4-Fluoro-1,4-dimethylpiperidine
CID 18963723
4-Tert-butyl-1-ethylpiperidine
CID 287952

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
The IUPAC name of (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine (CID 58394777) is (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine.
What is the SMILES notation for (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
The canonical SMILES for (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine is CCN1CCC(C(C)C)[C@@H](F)C1.
What is the InChIKey of (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
The InChIKey is DPPPIPUQUHAIKE-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine?
(3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine has a molecular weight of 173.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-fluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 58394777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).