ethane;3-fluoro-4-methyl-1-propylpiperidine

C11H24FN — CID 176992465

IUPACethane;3-fluoro-4-methyl-1-propylpiperidine
SMILESCC.CCCN1CCC(C)C(F)C1
InChIInChI=1S/C9H18FN.C2H6/c1-3-5-11-6-4-8(2)9(10)7-11;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyZRBCFJDUMATRSO-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.10
Rot. Bonds2

About ethane;3-fluoro-4-methyl-1-propylpiperidine

ethane;3-fluoro-4-methyl-1-propylpiperidine (PubChem CID 176992465) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is ethane;3-fluoro-4-methyl-1-propylpiperidine.

Molecular Properties

Compound Nameethane;3-fluoro-4-methyl-1-propylpiperidine
PubChem CID176992465
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Nameethane;3-fluoro-4-methyl-1-propylpiperidine
SMILESCC.CCCN1CCC(C)C(F)C1
InChIInChI=1S/C9H18FN.C2H6/c1-3-5-11-6-4-8(2)9(10)7-11;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyZRBCFJDUMATRSO-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine
CID 145118873
(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
CID 134195529
1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol
CID 130675497
ethane;3-methyl-1-propylpiperidine
CID 156729460
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
CID 170715036
3-chloro-4-methyl-1-pentylpiperidine
CID 102960020
ethane;1-(1-propylpyrrolidin-3-yl)ethanone
CID 91068645
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
3-methyl-1-propylpiperidine;propane
CID 145147959
1-hexyl-3,4,5-trimethylazepane
CID 130243666

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-4-methyl-1-propylpiperidine?
The IUPAC name of ethane;3-fluoro-4-methyl-1-propylpiperidine (CID 176992465) is ethane;3-fluoro-4-methyl-1-propylpiperidine.
What is the SMILES notation for ethane;3-fluoro-4-methyl-1-propylpiperidine?
The canonical SMILES for ethane;3-fluoro-4-methyl-1-propylpiperidine is CC.CCCN1CCC(C)C(F)C1.
What is the InChIKey of ethane;3-fluoro-4-methyl-1-propylpiperidine?
The InChIKey is ZRBCFJDUMATRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.C2H6/c1-3-5-11-6-4-8(2)9(10)7-11;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-4-methyl-1-propylpiperidine?
ethane;3-fluoro-4-methyl-1-propylpiperidine has a molecular weight of 189.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-4-methyl-1-propylpiperidine is sourced from PubChem (CID 176992465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).