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

C16H23ClFN3 — CID 167217057

IUPAC(4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NCC[C@@H](C2=CCCNC2C2C=C(Cl)CCC2F)C1
InChIInChI=1S/C16H23ClFN3/c17-11-3-4-14(18)13(9-11)16-12(2-1-6-21-16)10-5-7-20-15(19)8-10/h2,9-10,13-14,16,21H,1,3-8H2,(H2,19,20)/t10-,13?,14?,16?/m1/s1
InChIKeyHIUBGFGVPHQELS-ZCVCMULBSA-N
MW311.83 g/mol
LogP2.91
Rot. Bonds2

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

(4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 167217057) has the molecular formula C16H23ClFN3 and a molecular weight of 311.83 g/mol. Its IUPAC name is (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name(4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID167217057
Molecular FormulaC16H23ClFN3
Molecular Weight311.83 g/mol
Exact Mass311.16
IUPAC Name(4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NCC[C@@H](C2=CCCNC2C2C=C(Cl)CCC2F)C1
InChIInChI=1S/C16H23ClFN3/c17-11-3-4-14(18)13(9-11)16-12(2-1-6-21-16)10-5-7-20-15(19)8-10/h2,9-10,13-14,16,21H,1,3-8H2,(H2,19,20)/t10-,13?,14?,16?/m1/s1
InChIKeyHIUBGFGVPHQELS-ZCVCMULBSA-N
XLogP2.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
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 (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine (CID 167217057) is (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine is NC1=NCC[C@@H](C2=CCCNC2C2C=C(Cl)CCC2F)C1.
What is the InChIKey of (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is HIUBGFGVPHQELS-ZCVCMULBSA-N. The full InChI is InChI=1S/C16H23ClFN3/c17-11-3-4-14(18)13(9-11)16-12(2-1-6-21-16)10-5-7-20-15(19)8-10/h2,9-10,13-14,16,21H,1,3-8H2,(H2,19,20)/t10-,13?,14?,16?/m1/s1.
What are the key properties of (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine?
(4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 311.83 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[6-(3-chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 167217057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).