N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine

C14H27FN2 — CID 139448771

IUPACN-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine
SMILESC=C(CC(C)(C)C)NC1CCN(CCF)CC1
InChIInChI=1S/C14H27FN2/c1-12(11-14(2,3)4)16-13-5-8-17(9-6-13)10-7-15/h13,16H,1,5-11H2,2-4H3
InChIKeyPOMWCAUJNQOTMY-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.96
Rot. Bonds5

About N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine

N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine (PubChem CID 139448771) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine
PubChem CID139448771
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine
SMILESC=C(CC(C)(C)C)NC1CCN(CCF)CC1
InChIInChI=1S/C14H27FN2/c1-12(11-14(2,3)4)16-13-5-8-17(9-6-13)10-7-15/h13,16H,1,5-11H2,2-4H3
InChIKeyPOMWCAUJNQOTMY-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine (CID 139448771) is N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine is C=C(CC(C)(C)C)NC1CCN(CCF)CC1.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine?
The InChIKey is POMWCAUJNQOTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-12(11-14(2,3)4)16-13-5-8-17(9-6-13)10-7-15/h13,16H,1,5-11H2,2-4H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine?
N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine has a molecular weight of 242.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine is sourced from PubChem (CID 139448771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).