1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine

C24H30FN3 — CID 118312908

IUPAC1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(F)cc(-c2cncc(C3=CCC(C)CC3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H30FN3/c1-16-3-5-18(6-4-16)22-14-27-15-23(19-11-17(2)12-20(25)13-19)24(22)28-9-7-21(26)8-10-28/h5,11-16,21H,3-4,6-10,26H2,1-2H3
InChIKeyROAVLRHTGIDFSU-UHFFFAOYSA-N
MW379.52 g/mol
LogP5.33
Rot. Bonds3

About 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine

1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine (PubChem CID 118312908) has the molecular formula C24H30FN3 and a molecular weight of 379.52 g/mol. Its IUPAC name is 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine
PubChem CID118312908
Molecular FormulaC24H30FN3
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Name1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine
SMILESCc1cc(F)cc(-c2cncc(C3=CCC(C)CC3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H30FN3/c1-16-3-5-18(6-4-16)22-14-27-15-23(19-11-17(2)12-20(25)13-19)24(22)28-9-7-21(26)8-10-28/h5,11-16,21H,3-4,6-10,26H2,1-2H3
InChIKeyROAVLRHTGIDFSU-UHFFFAOYSA-N
XLogP5.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine (CID 118312908) is 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine is Cc1cc(F)cc(-c2cncc(C3=CCC(C)CC3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine?
The InChIKey is ROAVLRHTGIDFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3/c1-16-3-5-18(6-4-16)22-14-27-15-23(19-11-17(2)12-20(25)13-19)24(22)28-9-7-21(26)8-10-28/h5,11-16,21H,3-4,6-10,26H2,1-2H3.
What are the key properties of 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine?
1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine has a molecular weight of 379.52 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-5-methylphenyl)-5-(4-methylcyclohexen-1-yl)-4-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118312908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).