4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine

C16H25ClFN3 — CID 123519620

IUPAC4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
SMILESNC1CC(C2=CCCNC2C2C=C(Cl)CCC2F)CCN1
InChIInChI=1S/C16H25ClFN3/c17-11-3-4-14(18)13(9-11)16-12(2-1-6-21-16)10-5-7-20-15(19)8-10/h2,9-10,13-16,20-21H,1,3-8,19H2
InChIKeyYWHYXQWZNHMXDT-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.43
Rot. Bonds2

About 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine

4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine (PubChem CID 123519620) has the molecular formula C16H25ClFN3 and a molecular weight of 313.85 g/mol. Its IUPAC name is 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine.

Molecular Properties

Compound Name4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
PubChem CID123519620
Molecular FormulaC16H25ClFN3
Molecular Weight313.85 g/mol
Exact Mass313.17
IUPAC Name4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
SMILESNC1CC(C2=CCCNC2C2C=C(Cl)CCC2F)CCN1
InChIInChI=1S/C16H25ClFN3/c17-11-3-4-14(18)13(9-11)16-12(2-1-6-21-16)10-5-7-20-15(19)8-10/h2,9-10,13-16,20-21H,1,3-8,19H2
InChIKeyYWHYXQWZNHMXDT-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
The IUPAC name of 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine (CID 123519620) is 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine.
What is the SMILES notation for 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
The canonical SMILES for 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine is NC1CC(C2=CCCNC2C2C=C(Cl)CCC2F)CCN1.
What is the InChIKey of 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
The InChIKey is YWHYXQWZNHMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN3/c17-11-3-4-14(18)13(9-11)16-12(2-1-6-21-16)10-5-7-20-15(19)8-10/h2,9-10,13-16,20-21H,1,3-8,19H2.
What are the key properties of 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine has a molecular weight of 313.85 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine is sourced from PubChem (CID 123519620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).