4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine

C18H37FN2 — CID 172607002

IUPAC4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(F)CCN(C)CC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C9H18FN.C9H19N/c1-8(2)9(10)4-6-11(3)7-5-9;1-8(2)9-4-6-10(3)7-5-9/h8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyQAEWIJKVUFNBIB-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.06
Rot. Bonds2

About 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine

4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine (PubChem CID 172607002) has the molecular formula C18H37FN2 and a molecular weight of 300.51 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
PubChem CID172607002
Molecular FormulaC18H37FN2
Molecular Weight300.51 g/mol
Exact Mass300.29
IUPAC Name4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1(F)CCN(C)CC1.CC(C)C1CCN(C)CC1
InChIInChI=1S/C9H18FN.C9H19N/c1-8(2)9(10)4-6-11(3)7-5-9;1-8(2)9-4-6-10(3)7-5-9/h8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyQAEWIJKVUFNBIB-UHFFFAOYSA-N
XLogP4.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1,4-dimethylcyclohexan-1-ol;ethane;1-methyl-4-propan-2-ylpiperidine
CID 142483448
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
1-ethyl-4-fluoro-4-propan-2-ylpiperidine
CID 163258367
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
4,4-difluoro-1-methylpiperidine;2-ethoxypropane
CID 168995938
1-methyl-4-(1-propan-2-ylcyclopropyl)piperidine
CID 177136653
1-methyl-4,4-di(propan-2-yl)piperidine
CID 18740750
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
CID 103494627

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine (CID 172607002) is 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine is CC(C)C1(F)CCN(C)CC1.CC(C)C1CCN(C)CC1.
What is the InChIKey of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
The InChIKey is QAEWIJKVUFNBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.C9H19N/c1-8(2)9(10)4-6-11(3)7-5-9;1-8(2)9-4-6-10(3)7-5-9/h8H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine has a molecular weight of 300.51 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 172607002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).