1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile

C9H15FN2 — CID 103993957

IUPAC1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCF)CC1
InChIInChI=1S/C9H15FN2/c1-9(8-11)2-5-12(6-3-9)7-4-10/h2-7H2,1H3
InChIKeyHQYAPIBANQIPGZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.58
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile

1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 103993957) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
PubChem CID103993957
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CCF)CC1
InChIInChI=1S/C9H15FN2/c1-9(8-11)2-5-12(6-3-9)7-4-10/h2-7H2,1H3
InChIKeyHQYAPIBANQIPGZ-UHFFFAOYSA-N
XLogP1.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile
CID 107160799
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
CID 102672948
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
CID 103994003
4-(2-fluoroethyl)-7,7-dimethyl-1,4-thiazepane
CID 130739897
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 107160820
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 113362979
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperidine-4-carbonitrile
CID 10384538
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750
1-ethylsulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990296

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile (CID 103993957) is 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is HQYAPIBANQIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-9(8-11)2-5-12(6-3-9)7-4-10/h2-7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile?
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 170.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103993957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).