N-(2-fluoroethyl)-1-piperidin-4-ylethenamine

C9H17FN2 — CID 174338337

IUPACN-(2-fluoroethyl)-1-piperidin-4-ylethenamine
SMILESC=C(NCCF)C1CCNCC1
InChIInChI=1S/C9H17FN2/c1-8(12-7-4-10)9-2-5-11-6-3-9/h9,11-12H,1-7H2
InChIKeyNDCAIAVPDAWSSX-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.06
Rot. Bonds4

About N-(2-fluoroethyl)-1-piperidin-4-ylethenamine

N-(2-fluoroethyl)-1-piperidin-4-ylethenamine (PubChem CID 174338337) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-piperidin-4-ylethenamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-piperidin-4-ylethenamine
PubChem CID174338337
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC NameN-(2-fluoroethyl)-1-piperidin-4-ylethenamine
SMILESC=C(NCCF)C1CCNCC1
InChIInChI=1S/C9H17FN2/c1-8(12-7-4-10)9-2-5-11-6-3-9/h9,11-12H,1-7H2
InChIKeyNDCAIAVPDAWSSX-UHFFFAOYSA-N
XLogP1.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-piperidin-4-ylethenamine?
The IUPAC name of N-(2-fluoroethyl)-1-piperidin-4-ylethenamine (CID 174338337) is N-(2-fluoroethyl)-1-piperidin-4-ylethenamine.
What is the SMILES notation for N-(2-fluoroethyl)-1-piperidin-4-ylethenamine?
The canonical SMILES for N-(2-fluoroethyl)-1-piperidin-4-ylethenamine is C=C(NCCF)C1CCNCC1.
What is the InChIKey of N-(2-fluoroethyl)-1-piperidin-4-ylethenamine?
The InChIKey is NDCAIAVPDAWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-8(12-7-4-10)9-2-5-11-6-3-9/h9,11-12H,1-7H2.
What are the key properties of N-(2-fluoroethyl)-1-piperidin-4-ylethenamine?
N-(2-fluoroethyl)-1-piperidin-4-ylethenamine has a molecular weight of 172.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-piperidin-4-ylethenamine is sourced from PubChem (CID 174338337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).